 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_LCPBE_augccpVDZ.in
 Output=19_methylcyclohexanone_Chair_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/19_methylcyclohexanone_Chair_STD/Gau-18945.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18947.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=19_methylcyclohexanone_Chair_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=032500
 0000,3/108=0325000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=325000000,108=325000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.325000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.325000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              18.0 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  1.06D-05  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:              10.6 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636949320 LenY=  5636854015
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.113934331536    
 DIIS: error= 3.60D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.113934331536     IErMin= 1 ErrMin= 3.60D-03
 ErrMax= 3.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-03 BMatP= 9.29D-03
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.60D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.32D-03 MaxDP=9.84D-01              OVMax= 1.78D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.96D-03    CP:  1.11D+00
 E= -348.122589274483     Delta-E=       -0.008654942947 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -348.122589274483     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-03 BMatP= 9.29D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
 Coeff-Com:  0.129D+00 0.871D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.128D+00 0.872D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.37D-03 MaxDP=1.21D-01 DE=-8.65D-03 OVMax= 1.09D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.93D-04    CP:  1.12D+00  1.11D+00
 E= -348.122602386920     Delta-E=       -0.000013112437 Rises=F Damp=F
 DIIS: error= 1.34D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -348.122602386920     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-03 BMatP= 1.23D-03
 IDIUse=3 WtCom= 2.15D-01 WtEn= 7.85D-01
 Coeff-Com: -0.386D-01 0.532D+00 0.506D+00
 Coeff-En:   0.000D+00 0.497D+00 0.503D+00
 Coeff:     -0.829D-02 0.505D+00 0.504D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.04D-04 MaxDP=3.82D-02 DE=-1.31D-05 OVMax= 7.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.29D-04    CP:  1.13D+00  1.15D+00  1.04D+00
 E= -348.123650225022     Delta-E=       -0.001047838102 Rises=F Damp=F
 DIIS: error= 1.73D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -348.123650225022     IErMin= 4 ErrMin= 1.73D-04
 ErrMax= 1.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-05 BMatP= 1.23D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.73D-03
 Coeff-Com: -0.962D-02 0.144D-01 0.114D+00 0.881D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.960D-02 0.144D-01 0.114D+00 0.881D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.82D-04 MaxDP=1.13D-02 DE=-1.05D-03 OVMax= 1.14D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.59D-05    CP:  1.13D+00  1.16D+00  1.18D+00  1.17D+00
 E= -348.123670923961     Delta-E=       -0.000020698939 Rises=F Damp=F
 DIIS: error= 6.45D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -348.123670923961     IErMin= 5 ErrMin= 6.45D-05
 ErrMax= 6.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-06 BMatP= 2.36D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.852D-03-0.661D-01-0.208D-01 0.337D+00 0.749D+00
 Coeff:      0.852D-03-0.661D-01-0.208D-01 0.337D+00 0.749D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.11D-05 MaxDP=3.46D-03 DE=-2.07D-05 OVMax= 4.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.13D-05    CP:  1.13D+00  1.16D+00  1.23D+00  1.24D+00  1.11D+00
 E= -348.123673522288     Delta-E=       -0.000002598328 Rises=F Damp=F
 DIIS: error= 9.08D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -348.123673522288     IErMin= 6 ErrMin= 9.08D-06
 ErrMax= 9.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-08 BMatP= 2.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.805D-03-0.125D-01-0.921D-02 0.185D-01 0.131D+00 0.872D+00
 Coeff:      0.805D-03-0.125D-01-0.921D-02 0.185D-01 0.131D+00 0.872D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.47D-06 MaxDP=5.98D-04 DE=-2.60D-06 OVMax= 9.19D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.31D-06    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.18D+00
                    CP:  1.16D+00
 E= -348.123673593202     Delta-E=       -0.000000070914 Rises=F Damp=F
 DIIS: error= 2.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -348.123673593202     IErMin= 7 ErrMin= 2.32D-06
 ErrMax= 2.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-09 BMatP= 4.25D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.650D-04 0.203D-02-0.113D-03-0.191D-01-0.271D-01 0.184D+00
 Coeff-Com:  0.861D+00
 Coeff:      0.650D-04 0.203D-02-0.113D-03-0.191D-01-0.271D-01 0.184D+00
 Coeff:      0.861D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.95D-06 MaxDP=2.54D-04 DE=-7.09D-08 OVMax= 3.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.20D+00
                    CP:  1.23D+00  1.13D+00
 E= -348.123673600385     Delta-E=       -0.000000007183 Rises=F Damp=F
 DIIS: error= 7.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -348.123673600385     IErMin= 8 ErrMin= 7.67D-07
 ErrMax= 7.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-10 BMatP= 4.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D-04 0.182D-02 0.885D-03-0.830D-02-0.219D-01-0.271D-01
 Coeff-Com:  0.259D+00 0.796D+00
 Coeff:     -0.561D-04 0.182D-02 0.885D-03-0.830D-02-0.219D-01-0.271D-01
 Coeff:      0.259D+00 0.796D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=6.62D-07 MaxDP=2.63D-05 DE=-7.18D-09 OVMax= 1.23D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.71D-07    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.21D+00
                    CP:  1.24D+00  1.22D+00  1.07D+00
 E= -348.123673601215     Delta-E=       -0.000000000830 Rises=F Damp=F
 DIIS: error= 1.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -348.123673601215     IErMin= 9 ErrMin= 1.78D-07
 ErrMax= 1.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-11 BMatP= 5.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.120D-03 0.172D-03 0.143D-03-0.807D-03-0.169D-01
 Coeff-Com: -0.274D-01 0.104D+00 0.940D+00
 Coeff:     -0.126D-04 0.120D-03 0.172D-03 0.143D-03-0.807D-03-0.169D-01
 Coeff:     -0.274D-01 0.104D+00 0.940D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=1.13D-05 DE=-8.30D-10 OVMax= 4.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.52D-08    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.21D+00
                    CP:  1.24D+00  1.23D+00  1.15D+00  1.11D+00
 E= -348.123673601302     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -348.123673601302     IErMin=10 ErrMin= 4.51D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-12 BMatP= 2.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-05-0.127D-03-0.332D-04 0.700D-03 0.172D-02-0.929D-03
 Coeff-Com: -0.266D-01-0.446D-01 0.167D+00 0.903D+00
 Coeff:      0.196D-05-0.127D-03-0.332D-04 0.700D-03 0.172D-02-0.929D-03
 Coeff:     -0.266D-01-0.446D-01 0.167D+00 0.903D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.37D-08 MaxDP=6.26D-06 DE=-8.73D-11 OVMax= 1.58D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.53D-08    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.21D+00
                    CP:  1.24D+00  1.24D+00  1.15D+00  1.16D+00  1.09D+00
 E= -348.123673601286     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 1.87D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -348.123673601302     IErMin=11 ErrMin= 1.87D-08
 ErrMax= 1.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-13 BMatP= 2.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-05-0.370D-04-0.216D-04 0.134D-03 0.419D-03 0.117D-02
 Coeff-Com: -0.351D-02-0.169D-01-0.436D-01 0.192D+00 0.871D+00
 Coeff:      0.145D-05-0.370D-04-0.216D-04 0.134D-03 0.419D-03 0.117D-02
 Coeff:     -0.351D-02-0.169D-01-0.436D-01 0.192D+00 0.871D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=8.51D-07 DE= 1.60D-11 OVMax= 7.33D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.31D-09    CP:  1.13D+00  1.16D+00  1.23D+00  1.25D+00  1.21D+00
                    CP:  1.24D+00  1.23D+00  1.15D+00  1.16D+00  1.14D+00
                    CP:  1.11D+00
 E= -348.123673601291     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -348.123673601302     IErMin=12 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-14 BMatP= 2.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-06 0.154D-04 0.266D-05-0.892D-04-0.221D-03 0.268D-03
 Coeff-Com:  0.369D-02 0.536D-02-0.316D-01-0.127D+00 0.105D+00 0.104D+01
 Coeff:     -0.133D-06 0.154D-04 0.266D-05-0.892D-04-0.221D-03 0.268D-03
 Coeff:      0.369D-02 0.536D-02-0.316D-01-0.127D+00 0.105D+00 0.104D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=7.03D-09 MaxDP=3.55D-07 DE=-4.77D-12 OVMax= 5.15D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -348.123673601     A.U. after   12 cycles
            NFock= 12  Conv=0.70D-08     -V/T= 2.0053
 KE= 3.462947292455D+02 PE=-1.598786019438D+03 EE= 5.102426896087D+02
 Leave Link  502 at Fri Jul 16 19:18:21 2021, MaxMem=  5637144576 cpu:            1989.6 elap:             250.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.60500308D+02

 Leave Link  801 at Fri Jul 16 19:18:21 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 1.67D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.33D-01 5.73D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 1.85D-02 2.22D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.61D-03 7.57D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 7.46D-05 1.14D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 2.14D-06 2.81D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 7.24D-08 4.60D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 2.13D-09 6.57D-06.
     11 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 5.05D-11 6.93D-07.
     10 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 9.23D-13 1.05D-07.
      4 vectors produced by pass 10 Test12= 1.35D-13 8.33D-09 XBig12= 1.52D-14 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.914839D+02
      2 -0.143919D+01  0.891817D+02
      3 -0.238729D+01  0.409072D+00  0.775367D+02
 Isotropic polarizability for W=    0.093368       86.07 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.279529D+02 -0.195862D+02 -0.258142D+02
      2   0.163446D+02  0.211893D+02  0.157862D+01
      3   0.116083D+02 -0.160315D+01  0.242355D+02
      4  -0.283817D+01 -0.229613D+02 -0.178928D+01
      5  -0.229946D+02 -0.180500D+01 -0.355426D+02
      6   0.494230D+00 -0.317959D+01  0.811791D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.896627D+00  0.349415D+01 -0.339013D+01
      2  -0.124077D+02 -0.240568D-01 -0.170562D+02
      3   0.110734D+02  0.118693D+02  0.123379D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.157263D-01 -0.475821D+01 -0.972106D+01
      2  -0.281955D+01 -0.228351D+01 -0.471509D+02
      3   0.167480D+02  0.393060D+02  0.229923D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.600933D+00  0.128116D+01 -0.104244D+01
      2   0.128116D+01 -0.402298D+00  0.316126D+00
      3  -0.104244D+01  0.316126D+00  0.114466D+00
 OR G Eigenvalues:    -1.7067     0.2226     1.7971  Iso=    -0.1044
 Eigenvectors:
   (1)  -0.580188   0.678911  -0.449957
   (2)   0.103185   0.609262   0.786227
   (3)   0.807920   0.409731  -0.423540
 w=    0.093368 a.u., Optical Rotation Beta=     -0.1044 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -52.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 7.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.98D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 3.56D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 2.89D-02 2.30D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 1.79D-03 6.24D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 2.38D-05 4.99D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 3.39D-07 6.08D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 3.04D-09 4.93D-06.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 2.32D-11 3.93D-07.
     30 vectors produced by pass  7 Test12= 2.25D-14 2.78D-09 XBig12= 1.53D-13 2.96D-08.
      1 vectors produced by pass  8 Test12= 2.25D-14 2.78D-09 XBig12= 1.24D-15 3.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.61D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.914839D+02 -0.143919D+01 -0.238729D+01
      2  -0.143919D+01  0.891817D+02  0.409072D+00
      3  -0.238729D+01  0.409072D+00  0.775367D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.896627D+00  0.349415D+01 -0.339013D+01
      2  -0.124077D+02 -0.240568D-01 -0.170562D+02
      3   0.110734D+02  0.118693D+02  0.123379D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.279529D+02 -0.195862D+02 -0.258142D+02
      2   0.163446D+02  0.211893D+02  0.157862D+01
      3   0.116083D+02 -0.160315D+01  0.242355D+02
      4  -0.283817D+01 -0.229613D+02 -0.178928D+01
      5  -0.229946D+02 -0.180500D+01 -0.355426D+02
      6   0.494230D+00 -0.317959D+01  0.811791D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.351472D+01  0.445572D+01  0.932296D+00  0.446308D+01 -0.143943D+01
      2   0.445572D+01 -0.207909D+00 -0.226176D+01 -0.143943D+01 -0.263347D+01
      3   0.932296D+00 -0.226176D+01  0.633635D+00 -0.213984D+01  0.155943D+01
                 6             7             8             9            10 
      1  -0.213984D+01  0.139181D+01 -0.255048D+01 -0.149903D+00 -0.969326D-01
      2   0.155943D+01 -0.255048D+01  0.102766D+01  0.187331D+01 -0.376947D+01
      3   0.166886D+01 -0.149903D+00  0.187331D+01  0.106385D+01  0.245823D+01
                11            12            13            14            15 
      1  -0.376947D+01  0.245823D+01 -0.347990D+01  0.434264D+00  0.730392D+00
      2  -0.532902D+00  0.653582D+00  0.434264D+00  0.248009D+01 -0.140283D+01
      3   0.653582D+00 -0.271699D+01  0.730392D+00 -0.140283D+01 -0.237437D+01
                16            17            18            19            20 
      1   0.384830D+01  0.559711D+00 -0.315617D+01 -0.282189D+01  0.301831D+01
      2   0.559711D+00 -0.161702D+01 -0.338152D+01  0.301831D+01 -0.328925D+00
      3  -0.315617D+01 -0.338152D+01 -0.315714D+01 -0.159027D+01 -0.142651D+00
                21            22            23            24            25 
      1  -0.159027D+01  0.205181D+01  0.817594D+00 -0.109179D+00 -0.189544D+01
      2  -0.142651D+00  0.817594D+00 -0.771470D+01  0.532312D+00  0.591030D-01
      3   0.163950D+01 -0.109179D+00  0.532312D+00  0.190086D+01  0.168354D+01
                26            27            28            29            30 
      1   0.591030D-01  0.168354D+01  0.593630D+01 -0.340104D+01  0.272869D+01
      2  -0.419653D+00  0.189890D+01 -0.340104D+01  0.181433D+00 -0.123882D+00
      3   0.189890D+01  0.590515D+01  0.272869D+01 -0.123882D+00 -0.809014D+00
                31            32            33            34            35 
      1  -0.324575D+01 -0.151863D+00 -0.146250D-02  0.376619D+01 -0.301162D+00
      2  -0.151863D+00  0.391929D+01 -0.355651D+00 -0.301162D+00 -0.813729D+00
      3  -0.146250D-02 -0.355651D+00 -0.266284D+01 -0.504235D+00 -0.353442D+01
                36            37            38            39            40 
      1  -0.504235D+00 -0.368690D+01  0.286652D+01 -0.352568D+01  0.387244D+01
      2  -0.353442D+01  0.286652D+01  0.976924D+00  0.692712D-02  0.801646D+00
      3  -0.572061D+01 -0.352568D+01  0.692712D-02  0.263352D+01 -0.185895D+00
                41            42            43            44            45 
      1   0.801646D+00 -0.185895D+00 -0.447065D+01 -0.154301D+00  0.331077D+01
      2  -0.453287D+01 -0.536291D-01 -0.154301D+00  0.309778D+00  0.356234D+01
      3  -0.536291D-01  0.313529D+01  0.331077D+01  0.356234D+01  0.107279D+01
                46            47            48            49            50 
      1   0.399879D+01 -0.265860D+01  0.148251D+01 -0.185974D+01 -0.170025D+01
      2  -0.265860D+01 -0.181066D+01  0.620116D+00 -0.170025D+01  0.729434D+01
      3   0.148251D+01  0.620116D+00 -0.132237D+01  0.331943D+00 -0.325008D+00
                51            52            53            54            55 
      1   0.331943D+00  0.101910D+01  0.161305D+00 -0.723964D+00  0.109798D+02
      2  -0.325008D+00  0.161305D+00  0.624634D+00 -0.224990D+01 -0.469097D+01
      3  -0.277182D+01 -0.723964D+00 -0.224990D+01 -0.536141D+01 -0.266866D+01
                56            57            58            59            60 
      1  -0.469097D+01 -0.266866D+01 -0.488846D+01  0.424960D+01  0.159462D+01
      2   0.293527D+01  0.123477D+01  0.424960D+01 -0.421543D+01 -0.193853D+01
      3   0.123477D+01  0.137870D+01  0.159462D+01 -0.193853D+01 -0.162710D+01
                61            62            63            64            65 
      1  -0.343387D+01  0.196187D+01  0.332821D+01  0.563877D+01  0.242891D+01
      2   0.196187D+01 -0.180143D+01 -0.260684D+01  0.242891D+01  0.215075D+01
      3   0.332821D+01 -0.260684D+01 -0.329870D+01 -0.230696D+01 -0.962203D+00
                66            67            68            69            70 
      1  -0.230696D+01  0.172655D+01  0.160153D+01 -0.505316D+00 -0.344073D+01
      2  -0.962203D+00  0.160153D+01  0.151798D+01 -0.879615D+00 -0.129957D+01
      3   0.187312D+01 -0.505316D+00 -0.879615D+00  0.969093D+00  0.236096D+01
                71            72            73            74            75 
      1  -0.129957D+01  0.236096D+01  0.834670D+00  0.155904D+01  0.968982D+00
      2  -0.161716D+01  0.169809D+01  0.155904D+01  0.602567D+00  0.493477D+00
      3   0.169809D+01 -0.244070D+01  0.968982D+00  0.493477D+00  0.983784D+00
                76            77            78            79            80 
      1   0.143366D+01  0.707793D+00  0.512737D+00  0.183234D+01  0.824412D+00
      2   0.707793D+00  0.227374D+01  0.185406D+01  0.824412D+00  0.336067D+01
      3   0.512737D+00  0.185406D+01  0.195409D+01  0.193337D+01  0.269382D+01
                81            82            83            84            85 
      1   0.193337D+01 -0.307007D+00 -0.468910D+00 -0.864558D+00 -0.857054D+00
      2   0.269382D+01 -0.468910D+00 -0.220592D+00  0.734619D-01 -0.470703D+00
      3   0.551344D+01 -0.864558D+00  0.734619D-01 -0.806046D+00 -0.190934D+00
                86            87            88            89            90 
      1  -0.470703D+00 -0.190934D+00 -0.158574D+01 -0.128498D+00 -0.114239D+01
      2   0.919626D-01 -0.101358D+01 -0.128498D+00 -0.139609D+01  0.295491D+00
      3  -0.101358D+01 -0.113561D+01 -0.114239D+01  0.295491D+00 -0.766026D+01
                91            92            93            94            95 
      1  -0.120318D+00  0.122417D+01  0.154001D+00  0.155751D+01 -0.939563D+00
      2   0.122417D+01 -0.685153D+00  0.492360D-01 -0.939563D+00  0.118601D+02
      3   0.154001D+00  0.492360D-01 -0.334668D+00  0.954333D-01 -0.119050D+01
                96            97            98            99           100 
      1   0.954333D-01  0.411037D+00 -0.208563D-01 -0.365830D+00 -0.917011D+01
      2  -0.119050D+01 -0.208563D-01  0.782464D-01  0.113521D+01  0.277557D+01
      3   0.101164D+01 -0.365830D+00  0.113521D+01 -0.778563D+00 -0.110130D+01
               101           102           103           104           105 
      1   0.277557D+01 -0.110130D+01  0.210221D+01 -0.191039D+01  0.135651D+00
      2  -0.231110D+01  0.240815D+00 -0.191039D+01  0.116133D+01 -0.346260D+00
      3   0.240815D+00 -0.111939D+01  0.135651D+00 -0.346260D+00  0.682648D+00
               106           107           108           109           110 
      1  -0.238818D+01  0.681799D+00 -0.130690D+01 -0.439006D+00  0.918409D+00
      2   0.681799D+00 -0.916626D+00  0.953732D+00  0.918409D+00  0.277507D+00
      3  -0.130690D+01  0.953732D+00 -0.326449D+00  0.736471D+00  0.582443D-01
               111           112           113           114           115 
      1   0.736471D+00  0.939907D+00 -0.138747D+00 -0.330694D+00  0.120517D+01
      2   0.582443D-01 -0.138747D+00  0.164136D+01  0.193829D+01 -0.280018D+00
      3   0.414251D+00 -0.330694D+00  0.193829D+01  0.227585D+01 -0.834121D+00
               116           117           118           119           120 
      1  -0.280018D+00 -0.834121D+00  0.449712D+01 -0.200778D+01  0.373470D+01
      2   0.283104D+01  0.291462D+01 -0.200778D+01 -0.393049D+00 -0.400103D+00
      3   0.291462D+01  0.751301D+01  0.373470D+01 -0.400103D+00 -0.147057D+01
               121           122           123           124           125 
      1  -0.271491D+01  0.323284D+00 -0.794539D+00  0.341738D+01 -0.413447D+00
      2   0.323284D+00  0.708738D+01 -0.224236D+00 -0.413447D+00 -0.117350D+01
      3  -0.794539D+00 -0.224236D+00 -0.233180D+01 -0.217973D+01 -0.262312D+01
               126           127           128           129           130 
      1  -0.217973D+01 -0.493812D+01 -0.189542D+01  0.299042D+01 -0.193603D+01
      2  -0.262312D+01 -0.189542D+01 -0.166501D+01  0.749856D+00 -0.169933D+01
      3  -0.165100D+00  0.299042D+01  0.749856D+00 -0.290481D+01  0.778162D+00
               131           132           133           134           135 
      1  -0.169933D+01  0.778162D+00  0.343411D+01  0.923527D+00 -0.303643D+01
      2  -0.112763D+01  0.125773D+01  0.923527D+00  0.142916D+01 -0.172273D+01
      3   0.125773D+01 -0.164419D+01 -0.303643D+01 -0.172273D+01  0.407673D+01
               136           137           138           139           140 
      1   0.237447D+00 -0.110073D+01 -0.108023D+00 -0.156724D+01  0.955244D+00
      2  -0.110073D+01  0.117236D+01 -0.322215D+00  0.955244D+00 -0.924932D+01
      3  -0.108023D+00 -0.322215D+00  0.285782D+00 -0.349734D+00  0.144821D+01
               141           142           143           144           145 
      1  -0.349734D+00 -0.370391D+00 -0.209266D-01  0.230264D+00 -0.340584D+00
      2   0.144821D+01 -0.209266D-01 -0.254845D+00 -0.941459D+00  0.504384D+00
      3  -0.135380D+01  0.230264D+00 -0.941459D+00  0.871025D+00  0.107410D+01
               146           147           148           149           150 
      1   0.504384D+00  0.107410D+01  0.123748D+01  0.343786D+00  0.277253D-01
      2   0.246834D+00 -0.159018D+00  0.343786D+00 -0.779448D-02  0.111982D+01
      3  -0.159018D+00  0.104955D+01  0.277253D-01  0.111982D+01  0.178991D+01
               151           152           153           154           155 
      1   0.155484D+01  0.881313D-01  0.819386D+00  0.212232D+01  0.785181D+00
      2   0.881313D-01  0.133186D+01  0.280278D+00  0.785181D+00  0.123586D+01
      3   0.819386D+00  0.280278D+00  0.916635D+01 -0.149321D+01  0.164047D+00
               156           157           158           159           160 
      1  -0.149321D+01  0.871669D+00  0.615255D+00 -0.305306D-01 -0.196476D+01
      2   0.164047D+00  0.615255D+00 -0.389442D-03 -0.517619D+00 -0.284257D+00
      3   0.268880D+01 -0.305306D-01 -0.517619D+00  0.905493D+00  0.135844D+01
               161           162           163           164           165 
      1  -0.284257D+00  0.135844D+01 -0.805041D+01  0.322298D+00 -0.316633D+01
      2  -0.108096D+01  0.215658D+00  0.322298D+00 -0.149909D+01 -0.454978D-01
      3   0.215658D+00 -0.452254D+01 -0.316633D+01 -0.454978D-01 -0.229848D+01
               166           167           168           169           170 
      1   0.178140D+01 -0.989509D+00  0.773942D+00 -0.222978D+01  0.135547D+00
      2  -0.989509D+00 -0.392062D-02 -0.361721D+00  0.135547D+00 -0.261890D+00
      3   0.773942D+00 -0.361721D+00  0.102233D+01 -0.172867D+01  0.290751D+00
               171           172           173           174           175 
      1  -0.172867D+01 -0.759207D+00 -0.865590D+00 -0.435420D+00 -0.148863D+01
      2   0.290751D+00 -0.865590D+00 -0.125118D+00  0.727947D-01 -0.141022D+01
      3  -0.172573D+01 -0.435420D+00  0.727947D-01  0.201699D+00 -0.342487D+00
               176           177           178           179           180 
      1  -0.141022D+01 -0.342487D+00 -0.100736D+00  0.580992D-01  0.103402D+00
      2  -0.984201D+01 -0.110069D+01  0.580992D-01  0.359834D+00 -0.752229D+00
      3  -0.110069D+01 -0.141456D+01  0.103402D+00 -0.752229D+00 -0.251412D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.764332D+01  0.100359D+02 -0.260508D+01  0.832957D+01 -0.144655D+01
      2  -0.882140D+01 -0.947830D+01 -0.105058D+01 -0.794248D+01  0.143533D+01
      3  -0.478351D+01 -0.761451D+01  0.284821D+01  0.858837D+00 -0.135650D+01
                 6             7             8             9            10 
      1   0.696285D+01 -0.122850D+01  0.143986D+02 -0.435655D+01 -0.661791D+01
      2  -0.457889D+00 -0.114004D+02 -0.217592D+01  0.116868D+02  0.838339D+01
      3  -0.724799D+01  0.891679D+00 -0.108310D+02  0.216605D+01  0.119244D+02
                11            12            13            14            15 
      1  -0.516221D+00  0.290715D+01 -0.298700D+01  0.171569D+01 -0.157266D+01
      2   0.167025D+01 -0.277520D+01  0.242800D+01 -0.228533D+01 -0.241851D+01
      3  -0.728957D+01  0.253138D+01  0.765529D-01 -0.417740D+01  0.442989D+01
                16            17            18            19            20 
      1   0.304710D+01  0.856743D+01  0.626776D+01  0.467960D+01 -0.138663D+01
      2  -0.819617D+01 -0.414134D+01 -0.555753D+01 -0.103170D+01  0.145745D+01
      3   0.396691D+01  0.306482D+01 -0.391561D+00 -0.745353D+01  0.832036D+01
                21            22            23            24            25 
      1  -0.239550D+01  0.141091D+01  0.256704D+01 -0.674276D+01 -0.282311D+01
      2   0.269225D+00 -0.570511D+00  0.358447D+01 -0.103687D+01 -0.517360D+01
      3  -0.487348D+01  0.926240D+01  0.140215D+01 -0.189101D+01 -0.506872D+01
                26            27            28            29            30 
      1  -0.101549D+01 -0.123630D+02 -0.525703D+01  0.561351D+00  0.957184D+00
      2  -0.132130D+00  0.305566D+00 -0.999021D+01  0.131660D+01  0.239126D+01
      3  -0.158989D+01  0.330162D+01  0.656428D+00 -0.817825D+01  0.355822D+01
                31            32            33            34            35 
      1   0.883040D+00  0.353969D+01  0.175531D+01  0.386932D+00  0.717632D+01
      2   0.147348D+01  0.657816D+00  0.455229D+01 -0.383256D+01  0.569163D+01
      3  -0.214261D+01  0.671189D+01 -0.352109D-01  0.446105D+01 -0.140060D+01
                36            37            38            39            40 
      1   0.519949D+01 -0.419611D+00  0.324592D+00  0.794957D+00  0.888335D+00
      2   0.813715D+01  0.128473D+02 -0.963867D+00  0.156417D+01 -0.573653D+01
      3  -0.561206D+01  0.733998D+01 -0.480908D+01  0.240697D+01 -0.757399D+00
                41            42            43            44            45 
      1  -0.326460D+01 -0.128205D+01 -0.116088D+01  0.613006D+01  0.215556D+01
      2  -0.172261D+01 -0.287563D+01 -0.179397D+01 -0.390890D+01 -0.203100D+01
      3  -0.934921D+01  0.137164D+01  0.466627D+01  0.111191D+01  0.246086D+01
                46            47            48            49            50 
      1  -0.795299D+00 -0.362025D+01 -0.245397D+01 -0.325191D+01  0.798614D+01
      2  -0.776417D+01  0.446834D+01  0.797018D+00  0.544365D+01  0.155997D+01
      3  -0.314317D+01  0.423115D+01 -0.206401D+01  0.103440D+02 -0.276453D+01
                51            52            53            54            55 
      1  -0.815272D+01  0.328492D+00 -0.125108D+01 -0.804864D+01 -0.455342D+01
      2   0.185834D+01 -0.834590D+01  0.682198D+00 -0.258007D+01 -0.260846D+01
      3   0.132983D+01 -0.302398D+01  0.143884D+01  0.790419D+00  0.115186D+01
                56            57            58            59            60 
      1  -0.472610D+01  0.380484D+01 -0.127505D+01  0.341736D+00 -0.717515D+01
      2   0.405690D+01  0.905305D+01  0.393454D+01 -0.346952D+01 -0.354765D+01
      3  -0.858864D+01 -0.699121D+00  0.115152D+01  0.973182D+01  0.317283D+01
                61            62            63            64            65 
      1   0.111330D+01 -0.895831D+00 -0.554606D+00  0.301204D+01  0.107095D+01
      2   0.416436D+01 -0.102964D+01 -0.100977D+02 -0.224172D+01 -0.220240D+01
      3   0.886731D+00  0.807342D+01  0.897945D+00  0.496615D+01 -0.278511D+01
                66            67            68            69            70 
      1  -0.335382D+01  0.135272D+01  0.117904D+01 -0.266709D+01 -0.348638D+01
      2   0.491109D+01 -0.642423D+00 -0.100704D+01  0.195096D+01  0.211908D+01
      3  -0.149458D+01  0.188554D+01  0.546830D+00  0.219050D-02 -0.358816D+01
                71            72            73            74            75 
      1  -0.443770D+00  0.367330D+01 -0.138742D+01 -0.907251D+00 -0.194580D+01
      2   0.239515D+01 -0.470445D+01  0.122643D+01  0.838763D+00  0.296898D+01
      3   0.154898D+01  0.469589D+00 -0.114280D+01  0.774063D+00  0.677449D+00
                76            77            78            79            80 
      1  -0.652654D+00 -0.122554D+01 -0.379318D+01 -0.292002D+01 -0.363852D+01
      2   0.399609D+00  0.192968D+01  0.287276D+01  0.984201D+00  0.524157D+01
      3   0.276017D+01 -0.220605D+01 -0.176686D+01  0.258647D+01 -0.254127D+01
                81            82            83            84            85 
      1  -0.934221D+01  0.189097D+01  0.980696D+00  0.193385D+01  0.131448D+01
      2   0.919985D+01 -0.168153D-01 -0.570671D+00  0.739764D+00 -0.162001D+01
      3  -0.212233D+00 -0.651651D+00 -0.311174D+01 -0.150153D+01 -0.171475D+01
                86            87            88            89            90 
      1   0.325528D+01  0.296780D+01  0.255387D+01  0.435958D+01  0.153683D+02
      2  -0.712543D+00 -0.139495D-01 -0.374045D+01 -0.540948D+00  0.811471D+00
      3  -0.333267D+00 -0.277448D+00 -0.303666D+01 -0.880145D+00 -0.180477D+01
                91            92            93            94            95 
      1  -0.969545D+00  0.308236D+00  0.496364D+00 -0.328064D+00 -0.205185D+01
      2  -0.128454D-01  0.396194D+00  0.114404D+01  0.186544D+01 -0.161659D+01
      3   0.113181D+00  0.780567D+00  0.866856D+00  0.717673D+01  0.106834D+00
                96            97            98            99           100 
      1  -0.438164D+01  0.357720D+00 -0.846887D+00  0.156310D+01  0.307005D+01
      2  -0.329835D+00 -0.264410D+00 -0.622629D+00 -0.237217D+00  0.601196D+01
      3  -0.327799D+00  0.162021D+01 -0.494177D+00 -0.565947D+00 -0.773019D+01
               101           102           103           104           105 
      1  -0.113022D+01  0.233561D+01 -0.117165D+01  0.926682D+00 -0.202592D+01
      2  -0.193959D+01  0.525665D+01 -0.103585D+01  0.142323D+01 -0.190948D+01
      3  -0.415430D+01 -0.898757D+00  0.116206D+01 -0.222352D+00 -0.569576D+00
               106           107           108           109           110 
      1   0.198834D+01 -0.373041D+00  0.114563D+01  0.106885D+00  0.717017D+00
      2   0.223102D+01 -0.214867D+01  0.178187D+01 -0.779745D+00 -0.627864D+00
      3  -0.267628D+01 -0.191064D+01  0.188398D+00  0.124946D+01  0.956234D+00
               111           112           113           114           115 
      1  -0.834635D+00  0.325297D+00 -0.518588D+00 -0.295176D+01  0.744924D+00
      2   0.152504D-01 -0.782353D+00 -0.286186D+01 -0.320420D+01 -0.249084D+01
      3   0.650560D+00  0.285460D+01  0.188890D+01  0.241316D+01  0.201885D+01
               116           117           118           119           120 
      1   0.162490D+01 -0.787539D+01  0.878332D+01 -0.718521D-01 -0.261593D+01
      2  -0.403461D+01 -0.110693D+02 -0.280907D+01 -0.896719D+00  0.117338D+02
      3   0.422123D+01  0.313354D+01 -0.104911D+02  0.200456D+00 -0.684507D+01
               121           122           123           124           125 
      1  -0.277724D+01 -0.101751D+02 -0.688623D+01 -0.278493D+01 -0.166317D+01
      2  -0.809197D+00  0.857294D+00  0.377998D+01  0.682489D+01  0.471910D+01
      3   0.674295D+01  0.128824D+02  0.374449D+00 -0.598021D+01 -0.140460D+01
               126           127           128           129           130 
      1   0.358046D+01 -0.121041D+00 -0.204599D+01 -0.125276D+01 -0.129316D+01
      2  -0.216195D+01  0.576095D+00  0.274876D+00  0.329907D+01  0.144379D+01
      3  -0.183022D+01  0.952817D+00 -0.359765D+01 -0.126991D+01  0.580368D+00
               131           132           133           134           135 
      1  -0.663237D+00 -0.139949D+01  0.123279D+00  0.193435D+01  0.851050D+00
      2  -0.267130D+00  0.247165D+01 -0.179433D+01  0.176353D+01 -0.361090D+01
      3  -0.906923D+00  0.142854D+01 -0.282030D+01  0.265070D+01 -0.274531D+00
               136           137           138           139           140 
      1  -0.766066D+00  0.548571D+00  0.197373D+00  0.313313D+00 -0.953912D+01
      2  -0.755038D+00  0.850607D+00  0.133442D+01  0.212313D+01 -0.806069D+00
      3  -0.104891D+01 -0.971879D+00  0.782328D+00  0.532682D+01  0.201268D+01
               141           142           143           144           145 
      1  -0.288358D+01  0.488661D+00 -0.196126D+00 -0.325360D+00  0.124369D+01
      2  -0.304572D+00 -0.462401D+00 -0.230632D+00 -0.937188D-01  0.111218D+01
      3   0.287562D+00  0.825474D+00  0.812014D+00  0.213052D+00  0.832736D+00
               146           147           148           149           150 
      1   0.233542D+00  0.239048D+01 -0.464102D+00  0.136537D+01  0.364564D+01
      2  -0.517452D+00 -0.949184D+00 -0.182488D+01 -0.223613D-01 -0.382788D+00
      3  -0.172569D+01 -0.166869D+01 -0.742894D-01 -0.278337D+00 -0.962866D+00
               151           152           153           154           155 
      1   0.799779D+00  0.445799D+01  0.117867D+02 -0.410132D+01 -0.328971D+01
      2  -0.372170D+01  0.286753D+00  0.873648D-01  0.784694D+01  0.165693D+01
      3  -0.145586D+01 -0.498630D+00 -0.213915D+01 -0.218791D+01 -0.555994D+00
               156           157           158           159           160 
      1   0.409484D+01 -0.174483D+01 -0.241066D+01  0.142787D+01  0.347232D+01
      2  -0.568444D+01  0.211936D+01  0.221060D+01 -0.164012D+01 -0.795033D+01
      3   0.227311D+01  0.480840D+00 -0.648909D+00 -0.668183D+00  0.227308D+01
               161           162           163           164           165 
      1   0.428191D+01 -0.677570D+01 -0.527941D+01  0.265522D+01 -0.284949D+01
      2  -0.151397D+01  0.905634D+01 -0.305433D+01  0.991721D+00  0.380682D+01
      3  -0.527473D+00 -0.197123D+01  0.107181D+02 -0.632077D+01  0.381834D+01
               166           167           168           169           170 
      1   0.174475D+01 -0.102888D+01  0.817273D+00 -0.230280D+01  0.200944D+01
      2   0.787643D+00 -0.156363D+00 -0.182207D+01 -0.160681D+01 -0.642776D+00
      3  -0.315166D+01  0.203587D+01 -0.119713D+01  0.345018D+01 -0.125389D+01
               171           172           173           174           175 
      1  -0.259042D+01 -0.161819D+00  0.258136D+00  0.394332D+00  0.576932D+00
      2   0.217845D+01  0.687535D+00 -0.577552D+00 -0.573277D-01 -0.105441D+01
      3   0.289748D+01 -0.553095D+00 -0.151130D+00  0.697530D+00  0.291873D+01
               176           177           178           179           180 
      1   0.924324D+01 -0.443038D+01  0.582562D+00 -0.251966D-01  0.844584D+00
      2   0.126903D+01  0.245757D+01 -0.129107D+01  0.106165D+01  0.930707D-01
      3  -0.157953D+02 -0.106004D+01  0.325057D-02  0.410364D+00 -0.171725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216625D+02  0.119462D+02 -0.117672D+01  0.201403D+02 -0.694569D+01
      2   0.798551D+01 -0.307657D+01 -0.377086D+01 -0.144756D+02  0.674857D+00
      3   0.136770D+02 -0.886964D+01  0.494758D+01 -0.566477D+01  0.627083D+01
      4   0.235634D+02 -0.121107D+02 -0.756282D+01 -0.151067D+02  0.831561D+00
      5   0.912210D+01 -0.496320D+01 -0.340480D+01 -0.888033D+01  0.489558D+01
      6  -0.422981D+01  0.725431D+01  0.227543D+01  0.635112D+00 -0.422253D+01
                 6             7             8             9            10 
      1  -0.845678D+01  0.131589D+02 -0.868802D+01 -0.256255D+01 -0.319690D+00
      2   0.444786D+01 -0.611858D+01  0.116423D+01 -0.290492D+01 -0.253587D+01
      3   0.400891D+01 -0.704037D+01  0.752379D+01  0.546747D+01  0.285556D+01
      4   0.340616D+01 -0.119279D+02  0.114016D+02  0.949423D+01 -0.104068D+02
      5   0.787412D+01  0.221691D+01  0.485353D+01  0.123890D+02  0.101359D+02
      6  -0.738576D+01  0.358251D+01 -0.215451D+01  0.561134D+00  0.883695D+01
                11            12            13            14            15 
      1  -0.782337D+01  0.883238D+01 -0.682193D+01 -0.309026D+01  0.542704D+01
      2   0.466999D+01 -0.454976D+01  0.412679D+01  0.123169D+02 -0.331607D+01
      3   0.315338D+01 -0.428262D+01  0.269515D+01 -0.922662D+01 -0.211097D+01
      4  -0.907540D+01  0.800788D+01 -0.166217D+01 -0.110069D+01 -0.243274D+01
      5   0.579497D+01 -0.100395D+02  0.399178D+01 -0.155609D+01 -0.839300D+01
      6  -0.146403D+01 -0.718394D+01  0.151994D+01 -0.241782D+01 -0.514274D+01
                16            17            18            19            20 
      1   0.834651D+01  0.889250D+01 -0.161232D+00 -0.464423D+01 -0.165120D+01
      2  -0.396488D+01 -0.494079D+01 -0.153324D+01  0.680630D+01  0.303678D+01
      3  -0.438162D+01 -0.395171D+01  0.169447D+01 -0.216208D+01 -0.138558D+01
      4   0.965235D+01 -0.626384D+01 -0.180654D+02 -0.469412D+01  0.179652D+00
      5  -0.118170D+02 -0.120455D+02 -0.700324D+01  0.177098D+01 -0.166878D+01
      6  -0.959064D+01 -0.135453D+02 -0.128366D+02 -0.679384D+01 -0.180852D-01
                21            22            23            24            25 
      1   0.211561D+01 -0.155150D+01  0.253134D+02  0.100736D+00  0.278847D+01
      2  -0.770428D-02  0.455592D+01 -0.466298D+02  0.498640D+01  0.565043D+00
      3  -0.210791D+01 -0.300442D+01  0.213164D+02 -0.508714D+01 -0.335351D+01
      4  -0.396543D+01  0.508712D+01  0.101900D+02 -0.127263D+01 -0.425866D+01
      5  -0.100815D+01 -0.169770D+00 -0.797448D+00 -0.695425D+00  0.927479D+00
      6   0.483277D+01 -0.184111D+01  0.794417D+01  0.702240D+01  0.383310D+01
                26            27            28            29            30 
      1   0.251704D+00  0.447500D+01 -0.221688D+02  0.134627D+02 -0.912154D+01
      2  -0.226000D+00  0.113283D+02  0.489665D+01 -0.737308D+01  0.599301D+01
      3  -0.257046D-01 -0.158033D+02  0.172721D+02 -0.608959D+01  0.312853D+01
      4   0.124012D+01  0.264073D+01  0.200037D+02 -0.663080D+01  0.546220D+01
      5  -0.436155D+00 -0.452521D+01 -0.911272D+01  0.571126D+00  0.356437D+01
      6   0.712676D+01  0.165461D+02  0.310252D+01  0.536069D+00 -0.254193D+01
                31            32            33            34            35 
      1   0.949259D+01 -0.273667D+01  0.546647D+01 -0.110623D+02  0.624291D+01
      2  -0.508249D+01  0.850877D+01  0.132461D+01  0.560963D+01  0.347553D+01
      3  -0.441010D+01 -0.577210D+01 -0.679109D+01  0.545270D+01 -0.971843D+01
      4  -0.790699D+01 -0.629766D+01  0.812805D+00  0.891869D+01  0.308261D+01
      5   0.137946D+00 -0.220232D+01  0.615082D+01  0.118218D+01  0.868633D+01
      6  -0.717907D+00 -0.239767D+01 -0.881719D+01  0.732672D+00 -0.911527D+01
                36            37            38            39            40 
      1   0.104645D+02  0.774967D+00 -0.793674D+01  0.133130D+02 -0.539302D+01
      2   0.183450D+00  0.174610D+01  0.485090D+01 -0.922104D+01  0.394452D+01
      3  -0.106480D+02 -0.252107D+01  0.308584D+01 -0.409191D+01  0.144850D+01
      4   0.968951D+01 -0.659257D+01 -0.524963D+01  0.600833D+01 -0.684245D+01
      5   0.120503D+02  0.171534D+02  0.547942D+01 -0.135297D+02  0.237043D+01
      6  -0.195704D+02  0.856006D+01  0.200861D+00 -0.557211D+01  0.291458D+01
                41            42            43            44            45 
      1  -0.498775D+01 -0.888036D+00  0.105263D+02  0.207309D+01 -0.989058D+01
      2   0.705971D+01 -0.719668D+00 -0.829245D+01 -0.550258D+01  0.306343D+01
      3  -0.207196D+01  0.160770D+01 -0.223388D+01  0.342949D+01  0.682715D+01
      4   0.524602D+01  0.171962D+01  0.413140D+01 -0.242169D+01 -0.150801D+02
      5   0.391231D+01 -0.960524D+01 -0.147043D+02 -0.123709D+02  0.433899D+01
      6   0.134245D+00 -0.624166D+01 -0.846424D+01 -0.532688D+01  0.214514D+01
                46            47            48            49            50 
      1   0.133733D+01 -0.510922D+01  0.273720D+01 -0.211880D+01  0.136022D+02
      2  -0.151459D+01  0.678244D+01  0.349764D+01  0.366074D+01 -0.246689D+02
      3   0.177267D+00 -0.167322D+01 -0.623483D+01 -0.154194D+01  0.110666D+02
      4  -0.562798D+01  0.114322D+01 -0.779636D+00  0.309953D+01  0.830383D+01
      5  -0.401989D+01 -0.890163D+00  0.328307D+01 -0.812785D+00 -0.257563D+01
      6  -0.537709D+01 -0.415599D+01  0.268430D+01 -0.251876D+01  0.927074D+01
                51            52            53            54            55 
      1   0.569420D+01 -0.338246D+01  0.441499D+01  0.151911D+02  0.590283D+02
      2   0.699245D+01  0.213446D+01  0.196580D+01  0.125048D+02 -0.271360D+02
      3  -0.126867D+02  0.124800D+01 -0.638079D+01 -0.276958D+02 -0.318923D+02
      4  -0.562115D+00 -0.324305D+00 -0.544366D+00 -0.409770D+00 -0.345882D+02
      5   0.662680D+00  0.352502D+01 -0.607317D+00 -0.649444D+01 -0.135851D+02
      6   0.474606D+01  0.536948D+00  0.500166D+01  0.261808D+01  0.536684D+01
                56            57            58            59            60 
      1  -0.161919D+02 -0.875542D+01 -0.187705D+02  0.793267D+01  0.252127D+01
      2   0.360471D+01  0.705760D+01  0.559751D+01  0.558542D+01 -0.561510D+00
      3   0.125872D+02  0.169781D+01  0.131730D+02 -0.135181D+02 -0.195976D+01
      4   0.266303D+02  0.710651D+01  0.297477D+02 -0.243372D+02 -0.796599D+01
      5   0.501981D+01  0.154605D+02  0.791863D+01 -0.655052D+01 -0.962162D+01
      6  -0.344245D+01 -0.587773D+01 -0.427310D+01  0.787593D+01  0.107533D+02
                61            62            63            64            65 
      1  -0.114312D+02  0.332233D+01  0.531309D+01  0.206116D+02  0.535612D+01
      2   0.904338D+01  0.419917D-01 -0.839840D+01 -0.863973D+01  0.712904D+00
      3   0.238783D+01 -0.336432D+01  0.308531D+01 -0.119719D+02 -0.606902D+01
      4   0.118676D+02 -0.958194D+01 -0.126642D+02  0.225496D+02  0.153819D+02
      5   0.200394D+02 -0.111067D+02 -0.184843D+02 -0.130957D+02 -0.541757D+01
      6  -0.814870D+01  0.120383D+02  0.732237D+01 -0.722208D+01 -0.396559D+01
                66            67            68            69            70 
      1  -0.669798D+01  0.127501D+01 -0.156267D+00  0.739076D+00 -0.822557D+01
      2   0.399432D+01  0.374237D+01  0.465944D+01 -0.263915D+01  0.506607D+01
      3   0.270367D+01 -0.501738D+01 -0.450317D+01  0.190007D+01  0.315950D+01
      4  -0.903105D+01  0.119160D+02  0.104920D+02 -0.502364D+01 -0.131019D+02
      5   0.107508D+02 -0.280795D+01 -0.434315D+01  0.358115D+01  0.125574D+02
      6   0.625559D+01 -0.363862D+01 -0.485709D+01  0.604063D+01  0.766475D+01
                71            72            73            74            75 
      1  -0.871968D+00  0.155146D+01  0.137429D+01  0.320123D+01  0.188510D+01
      2  -0.178781D+01 -0.358022D+01  0.145353D-01 -0.999459D+00 -0.188607D+01
      3   0.265977D+01  0.202876D+01 -0.138883D+01 -0.220177D+01  0.966307D-03
      4  -0.900378D+01  0.106049D+02  0.717417D+01  0.757464D+01  0.506223D+01
      5   0.730046D+01 -0.116045D+02  0.509515D+01  0.274731D+01  0.720155D+01
      6   0.769312D+01 -0.786050D+01  0.402861D+01  0.269644D+01  0.357382D+01
                76            77            78            79            80 
      1   0.152474D+01 -0.606072D+01 -0.430934D+01  0.310362D+01 -0.679642D+01
      2   0.617927D+00  0.792792D+01  0.458751D+01 -0.257286D+01  0.646394D+01
      3  -0.214266D+01 -0.186720D+01 -0.278174D+00 -0.530761D+00  0.332487D+00
      4   0.693576D+01  0.884131D+01  0.702706D+01  0.828892D+01  0.131310D+02
      5   0.197106D+01  0.569971D+01  0.558508D+01  0.961117D+01  0.967768D+01
      6   0.331984D+01  0.957862D+01  0.110048D+02  0.726246D+01  0.149605D+02
                81            82            83            84            85 
      1  -0.686934D+01  0.159941D+01  0.486734D+00 -0.214173D+00  0.119348D+00
      2  -0.172060D+01 -0.466414D+01 -0.112511D+01 -0.101177D+01 -0.145702D+01
      3   0.858994D+01  0.306473D+01  0.638378D+00  0.122594D+01  0.133767D+01
      4   0.135393D+02 -0.732736D+00  0.202645D+01 -0.181988D+01 -0.340492D+00
      5   0.177750D+02  0.226557D+01  0.446533D+00  0.724615D+01  0.705812D+00
      6   0.212061D+02 -0.153423D+01  0.122388D+01 -0.267641D+01  0.654459D+00
                86            87            88            89            90 
      1  -0.287695D+01 -0.469288D-02 -0.117785D+01  0.334954D+01 -0.159580D+02
      2   0.273273D+01 -0.476040D+01 -0.239232D+01 -0.458788D+01 -0.136988D+02
      3   0.144221D+00  0.476510D+01  0.357017D+01  0.123834D+01  0.296569D+02
      4  -0.523962D+00  0.103859D+01 -0.367163D+01  0.192449D+01 -0.175165D+01
      5   0.108012D+01  0.902067D+00  0.549133D+01  0.278001D-01  0.719132D+01
      6  -0.197263D+01  0.118328D+00 -0.286144D+01  0.615071D+01 -0.219034D+02
                91            92            93            94            95 
      1  -0.194889D+01  0.114902D+01 -0.362548D+00  0.232485D+01 -0.407792D+02
      2   0.640189D+01 -0.353580D+01  0.983227D-01 -0.479841D+01  0.726658D+02
      3  -0.445300D+01  0.238678D+01  0.264226D+00  0.247356D+01 -0.318866D+02
      4  -0.198233D+01  0.107583D+02 -0.544726D+00  0.956140D+01 -0.110145D+02
      5   0.658511D-01 -0.162069D+01  0.182826D+01 -0.141363D+01  0.214760D+01
      6  -0.190759D+00  0.499405D+00 -0.886135D+00  0.105498D+01 -0.131796D+02
                96            97            98            99           100 
      1   0.453811D+01 -0.205710D+00  0.424216D+00 -0.518752D+01  0.437991D+02
      2  -0.589351D+01 -0.380495D+00  0.889975D+00  0.487009D+01 -0.181929D+02
      3   0.135540D+01  0.586205D+00 -0.131419D+01  0.317431D+00 -0.256061D+02
      4   0.990281D+00  0.678949D+00 -0.781886D-01 -0.130160D+01 -0.302256D+02
      5  -0.878802D+00  0.109225D+01 -0.728432D+00  0.602409D+00  0.296221D+01
      6   0.906625D+01 -0.133785D+01  0.928207D+01 -0.279615D+01 -0.635220D+00
               101           102           103           104           105 
      1  -0.984962D+01  0.497832D+01 -0.612186D+01  0.472374D+01 -0.810158D+00
      2   0.356138D+00 -0.196015D+01 -0.157491D+01  0.187537D+01 -0.980672D+00
      3   0.949348D+01 -0.301817D+01  0.769677D+01 -0.659911D+01  0.179083D+01
      4   0.171571D+02 -0.320913D+01  0.155202D+02 -0.100025D+02  0.205525D+01
      5  -0.383131D+00  0.718595D+01 -0.463602D+00  0.151654D+01 -0.234931D+01
      6  -0.228061D+00 -0.293371D+01  0.153480D+00 -0.784215D+00  0.335733D+01
               106           107           108           109           110 
      1   0.896554D+01 -0.238450D+01  0.309516D+01  0.150201D+01 -0.374774D+01
      2  -0.382633D+01 -0.132119D+01 -0.235159D+01 -0.136565D+01  0.233471D+01
      3  -0.513921D+01  0.370569D+01 -0.743578D+00 -0.136359D+00  0.141302D+01
      4  -0.812932D+01  0.465745D+01 -0.512753D+01 -0.312590D+01  0.274641D+01
      5   0.797670D+01 -0.359926D+01  0.320886D+01 -0.150386D+01  0.157097D+01
      6  -0.325476D+01  0.352434D+01 -0.552922D+00  0.249371D+01  0.661339D+00
               111           112           113           114           115 
      1  -0.239165D+01 -0.203450D+01 -0.692765D+01 -0.620348D+01 -0.189003D+01
      2   0.111672D+01  0.101930D+01  0.541631D+01  0.332654D+01  0.222581D+01
      3   0.127493D+01  0.101520D+01  0.151133D+01  0.287694D+01 -0.335777D+00
      4   0.209871D+01  0.452452D+01 -0.433577D+01 -0.551980D+01  0.437384D+01
      5   0.404516D+01  0.225022D+01 -0.447130D+01 -0.520416D+01  0.724206D+01
      6   0.201625D+01 -0.146843D+01  0.102958D+02  0.135688D+02 -0.326415D+01
               116           117           118           119           120 
      1  -0.784750D+01 -0.150578D+02 -0.214019D+02  0.784561D+01 -0.218039D+02
      2   0.256980D+01 -0.817814D+01  0.219741D+02 -0.414757D+01  0.631853D+01
      3   0.527770D+01  0.232359D+02 -0.572110D+00 -0.369803D+01  0.154854D+02
      4  -0.822855D+01 -0.979817D+01  0.101724D+01  0.518601D+01 -0.488525D+01
      5  -0.810435D+01 -0.193067D+02 -0.198986D+02  0.404140D+01 -0.350564D+01
      6   0.143077D+02  0.251085D+02 -0.251100D+01  0.883369D-01  0.518441D+01
               121           122           123           124           125 
      1   0.128887D+02  0.131706D+02  0.802786D+00 -0.196886D+02 -0.223240D+01
      2  -0.978523D+01 -0.311710D+02 -0.575333D+01  0.703605D+01 -0.112923D+01
      3  -0.310345D+01  0.180004D+02  0.495055D+01  0.126525D+02  0.336163D+01
      4   0.387347D+01 -0.209621D+02  0.141693D+01 -0.454632D+01  0.408912D+01
      5   0.697732D+01  0.121577D+01  0.652482D+01 -0.155377D+01  0.805045D+01
      6   0.211800D+00 -0.739994D+01  0.698511D+01  0.652831D+01  0.670770D+01
               126           127           128           129           130 
      1   0.298739D+01  0.199035D+02  0.540389D+01 -0.976825D+01  0.437430D+01
      2   0.389306D+01 -0.140128D+02 -0.308646D+01  0.934858D+01 -0.123783D+01
      3  -0.688045D+01 -0.589063D+01 -0.231743D+01  0.419670D+00 -0.313646D+01
      4   0.127594D+02  0.139631D+02  0.100778D+02 -0.736327D+01  0.108516D+02
      5   0.464671D+01 -0.207235D+02 -0.612387D+01  0.180802D+02 -0.591977D+01
      6   0.417248D+01 -0.727868D+01 -0.410213D+01  0.692813D+01 -0.497220D+01
               131           132           133           134           135 
      1   0.180957D+01 -0.747625D+00 -0.834360D+01 -0.948153D+00  0.380390D+01
      2   0.390032D+00  0.321581D+00  0.987167D+01  0.225657D+01 -0.116688D+02
      3  -0.219960D+01  0.426044D+00 -0.152808D+01 -0.130842D+01  0.786491D+01
      4   0.774242D+01 -0.639072D+01 -0.818583D+01 -0.613652D+01  0.893860D+01
      5  -0.706383D+01  0.703434D+01  0.190428D+02  0.790678D+01 -0.211731D+02
      6  -0.583603D+01  0.804867D+01  0.702866D+01  0.705258D+01 -0.998501D+01
               136           137           138           139           140 
      1  -0.211771D+00  0.173178D+01 -0.873006D+00  0.101663D+01 -0.249496D+02
      2   0.395504D+01 -0.383612D+01  0.356971D+00 -0.244508D+01  0.403910D+02
      3  -0.374327D+01  0.210434D+01  0.516035D+00  0.142845D+01 -0.154414D+02
      4  -0.221939D+01  0.920307D+01 -0.122827D+01  0.726755D+01 -0.692173D+01
      5   0.792624D+00 -0.310212D+01  0.205825D+01 -0.256577D+01  0.283483D+01
      6  -0.167530D+01  0.218818D+01 -0.115948D+01  0.252359D+01 -0.178689D+02
               141           142           143           144           145 
      1   0.533199D+01 -0.371685D+00  0.345844D+00 -0.467821D+01 -0.156065D+00
      2  -0.441112D+01 -0.424800D+00  0.194558D+01  0.195929D+01 -0.438690D+01
      3  -0.920879D+00  0.796485D+00 -0.229143D+01  0.271892D+01  0.454296D+01
      4   0.163964D+01  0.152441D+00 -0.100364D+01 -0.659561D+00  0.933803D+00
      5  -0.127489D+01  0.928884D+00 -0.420067D+00  0.694831D+00  0.270270D+01
      6   0.965326D+01 -0.758834D+00  0.663126D+01 -0.269240D+01 -0.321785D+00
               146           147           148           149           150 
      1   0.848224D+00 -0.183075D+01  0.141217D+01 -0.381288D+01 -0.436103D+01
      2  -0.384332D+00 -0.256000D+01 -0.795201D+00  0.827029D-01 -0.565181D+01
      3  -0.463892D+00  0.439075D+01 -0.616966D+00  0.373018D+01  0.100128D+02
      4   0.129878D+01 -0.168274D+01 -0.356723D+00  0.545612D-01  0.703070D+00
      5   0.442742D+00  0.847552D+01  0.167255D+01  0.923872D+00  0.194946D+01
      6   0.123679D+01 -0.183512D+01  0.742142D+00  0.208620D+00  0.356877D+01
               151           152           153           154           155 
      1   0.202941D+00  0.633425D+00 -0.259119D+02 -0.347092D+01 -0.388867D+00
      2  -0.236063D+01 -0.297649D+01 -0.207845D+02 -0.330997D+01 -0.143942D+01
      3   0.215768D+01  0.234306D+01  0.466964D+02  0.678089D+01  0.182829D+01
      4  -0.243627D+01  0.854063D+00 -0.139522D+01 -0.601386D+01 -0.258476D+01
      5   0.652541D+01  0.179828D+00  0.841091D+01 -0.240396D+01 -0.153894D+01
      6  -0.102333D+01  0.602609D+01 -0.117041D+02  0.144745D+01 -0.340780D+01
               156           157           158           159           160 
      1   0.105604D+02 -0.268859D+01 -0.422888D+01  0.844530D+00  0.957570D+01
      2   0.203121D+01  0.115251D+01  0.372272D+01  0.300014D+01  0.591337D+00
      3  -0.125916D+02  0.153608D+01  0.506160D+00 -0.384467D+01 -0.101670D+02
      4   0.318634D+01 -0.128051D+01  0.268560D+00  0.880831D+00  0.521080D+01
      5   0.262210D+00 -0.195044D+01 -0.383012D+00 -0.206203D+01  0.433523D+01
      6  -0.580476D+01 -0.147430D+01  0.313486D+00  0.111267D+01 -0.208099D+01
               161           162           163           164           165 
      1   0.311564D+00 -0.143550D+02  0.458025D+02 -0.390310D+01  0.129066D+02
      2   0.251515D+01 -0.863632D+01 -0.301031D+02  0.476301D+01 -0.122075D+02
      3  -0.282671D+01  0.229913D+02 -0.156993D+02 -0.859915D+00 -0.699082D+00
      4   0.254792D+01 -0.440735D+01  0.113798D+02  0.818009D+01  0.477985D+01
      5   0.122799D+00  0.394401D+01  0.274164D+02 -0.858725D+00  0.179454D+02
      6   0.388656D+01  0.775744D+01  0.276936D+01  0.412168D+01  0.315062D+01
               166           167           168           169           170 
      1  -0.103541D+02  0.350624D+01 -0.268867D+01  0.100711D+02 -0.143345D+00
      2   0.800673D+01 -0.221242D+00  0.387816D+01 -0.981135D+01  0.126931D+01
      3   0.234733D+01 -0.328500D+01 -0.118949D+01 -0.259726D+00 -0.112596D+01
      4   0.421896D+01 -0.288879D+00  0.141153D+01  0.373994D+01  0.160223D+01
      5  -0.621600D+01  0.294923D+01 -0.508354D+01  0.152641D+02 -0.149494D+01
      6   0.215840D+01 -0.504347D+00  0.588459D+00  0.196686D+01  0.181559D+01
               171           172           173           174           175 
      1   0.577083D+01  0.223032D+01  0.325135D+01  0.248434D+01  0.224554D+01
      2  -0.953927D+01  0.109250D+01 -0.114820D+01 -0.104650D+01  0.330851D+01
      3   0.376844D+01 -0.332282D+01 -0.210315D+01 -0.143784D+01 -0.555405D+01
      4   0.108018D+01  0.418544D+01  0.728919D+01  0.769232D+00  0.123762D+02
      5   0.113561D+02  0.247319D+01  0.861994D+00  0.163715D+01  0.320430D+01
      6   0.202367D+01  0.116428D+01  0.768491D-01 -0.430001D+00  0.262880D+01
               176           177           178           179           180 
      1  -0.219604D+02 -0.326913D+01  0.631416D+00 -0.622514D+00 -0.371149D+01
      2   0.475902D+02  0.236740D+01 -0.407238D+00 -0.235864D+01  0.350129D+01
      3  -0.256298D+02  0.901730D+00 -0.224177D+00  0.298115D+01  0.210200D+00
      4   0.323755D+02  0.367856D+01 -0.432817D+00 -0.126804D+01  0.191378D+01
      5   0.276774D+01  0.490347D+01  0.160078D+01  0.266879D+01 -0.404266D+00
      6   0.162283D+02  0.948931D+01  0.209464D+00  0.711876D+01  0.849676D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 20:05:15 2021, MaxMem=  5637144576 cpu:           22350.0 elap:            2813.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.92281 -10.14181 -10.07195 -10.06329 -10.05996
 Alpha  occ. eigenvalues --  -10.05837 -10.05801 -10.04665  -1.14219  -0.96291
 Alpha  occ. eigenvalues --   -0.88940  -0.84812  -0.80650  -0.73616  -0.69108
 Alpha  occ. eigenvalues --   -0.64001  -0.59272  -0.57048  -0.56784  -0.56046
 Alpha  occ. eigenvalues --   -0.53501  -0.52283  -0.50554  -0.48927  -0.46972
 Alpha  occ. eigenvalues --   -0.46329  -0.45062  -0.42541  -0.42132  -0.41988
 Alpha  occ. eigenvalues --   -0.33872
 Alpha virt. eigenvalues --    0.02451   0.03718   0.03823   0.04559   0.05823
 Alpha virt. eigenvalues --    0.06054   0.06154   0.06335   0.06584   0.07421
 Alpha virt. eigenvalues --    0.08542   0.08910   0.09215   0.10739   0.12002
 Alpha virt. eigenvalues --    0.12920   0.13292   0.13585   0.13934   0.14305
 Alpha virt. eigenvalues --    0.14696   0.15339   0.15967   0.16341   0.16645
 Alpha virt. eigenvalues --    0.16965   0.17184   0.17483   0.18121   0.18349
 Alpha virt. eigenvalues --    0.18765   0.19223   0.19570   0.20354   0.20637
 Alpha virt. eigenvalues --    0.21038   0.22421   0.23930   0.24170   0.24363
 Alpha virt. eigenvalues --    0.25204   0.26386   0.27336   0.28026   0.29131
 Alpha virt. eigenvalues --    0.30040   0.30196   0.30929   0.31837   0.32525
 Alpha virt. eigenvalues --    0.33404   0.33931   0.34571   0.34932   0.35819
 Alpha virt. eigenvalues --    0.36526   0.37353   0.37396   0.38084   0.39379
 Alpha virt. eigenvalues --    0.40147   0.40818   0.41213   0.41916   0.42851
 Alpha virt. eigenvalues --    0.43192   0.43780   0.44419   0.44858   0.45315
 Alpha virt. eigenvalues --    0.46379   0.46984   0.47984   0.48785   0.49436
 Alpha virt. eigenvalues --    0.49822   0.49953   0.50957   0.51500   0.51915
 Alpha virt. eigenvalues --    0.53090   0.53388   0.54537   0.54921   0.55582
 Alpha virt. eigenvalues --    0.56601   0.57620   0.58485   0.58858   0.59793
 Alpha virt. eigenvalues --    0.60849   0.62401   0.63362   0.63773   0.64444
 Alpha virt. eigenvalues --    0.66029   0.66118   0.66552   0.67173   0.67968
 Alpha virt. eigenvalues --    0.68677   0.69396   0.70235   0.71205   0.71815
 Alpha virt. eigenvalues --    0.72489   0.73201   0.74346   0.75279   0.76178
 Alpha virt. eigenvalues --    0.76356   0.76682   0.77655   0.78453   0.79223
 Alpha virt. eigenvalues --    0.80420   0.80759   0.81912   0.82242   0.82856
 Alpha virt. eigenvalues --    0.83823   0.84637   0.84882   0.85555   0.87005
 Alpha virt. eigenvalues --    0.87228   0.88916   0.89968   0.90821   0.91028
 Alpha virt. eigenvalues --    0.92240   0.93002   0.95955   0.97230   0.97809
 Alpha virt. eigenvalues --    0.99058   1.01356   1.02060   1.03601   1.04218
 Alpha virt. eigenvalues --    1.07592   1.08412   1.09825   1.11352   1.13694
 Alpha virt. eigenvalues --    1.16814   1.17954   1.19958   1.21812   1.22137
 Alpha virt. eigenvalues --    1.22992   1.24720   1.25819   1.27983   1.28426
 Alpha virt. eigenvalues --    1.30252   1.32496   1.34060   1.37594   1.38567
 Alpha virt. eigenvalues --    1.39396   1.42005   1.42509   1.45219   1.49023
 Alpha virt. eigenvalues --    1.50255   1.51137   1.53119   1.55606   1.57146
 Alpha virt. eigenvalues --    1.58443   1.60844   1.63268   1.66139   1.67697
 Alpha virt. eigenvalues --    1.69115   1.70484   1.72443   1.74300   1.75686
 Alpha virt. eigenvalues --    1.76046   1.77121   1.78391   1.79520   1.82432
 Alpha virt. eigenvalues --    1.84350   1.84810   1.85833   1.87059   1.89244
 Alpha virt. eigenvalues --    1.90784   1.92166   1.93070   1.95835   1.96143
 Alpha virt. eigenvalues --    1.97703   1.98568   1.99387   2.00613   2.01870
 Alpha virt. eigenvalues --    2.03532   2.04408   2.06306   2.08140   2.10065
 Alpha virt. eigenvalues --    2.11829   2.12813   2.14450   2.14734   2.15720
 Alpha virt. eigenvalues --    2.17637   2.20535   2.21554   2.24507   2.27031
 Alpha virt. eigenvalues --    2.28461   2.30308   2.31191   2.32930   2.33664
 Alpha virt. eigenvalues --    2.36456   2.38215   2.39861   2.41214   2.43308
 Alpha virt. eigenvalues --    2.45850   2.47414   2.50383   2.53515   2.54680
 Alpha virt. eigenvalues --    2.57382   2.58012   2.62375   2.62897   2.65545
 Alpha virt. eigenvalues --    2.67169   2.67862   2.69653   2.71667   2.75344
 Alpha virt. eigenvalues --    2.76036   2.78075   2.83446   2.85328   2.90379
 Alpha virt. eigenvalues --    2.93821   2.94530   2.98250   2.98982   3.03285
 Alpha virt. eigenvalues --    3.09222   3.12681   3.24993   3.38388   3.53384
 Alpha virt. eigenvalues --    3.53592   3.56664   3.65669   3.74090   3.84322
 Alpha virt. eigenvalues --    3.89836
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.127894  -0.355014  -0.167974   0.020687  -0.273001  -0.328503
     2  C   -0.355014   5.753313   0.437660  -0.255888  -0.244959  -0.253442
     3  C   -0.167974   0.437660   5.163851   0.411075  -0.468630  -0.158340
     4  C    0.020687  -0.255888   0.411075   5.323493  -0.196550  -0.084977
     5  C   -0.273001  -0.244959  -0.468630  -0.196550   8.568391  -0.201202
     6  C   -0.328503  -0.253442  -0.158340  -0.084977  -0.201202   6.121104
     7  O   -0.148103   0.038563   0.032655  -0.033398   0.062379   0.040221
     8  H    0.246327  -0.460265   0.086552   0.081491  -0.005149   0.092802
     9  H   -0.234712   0.261223   0.074252  -0.026978  -0.010336  -0.046340
    10  H   -0.053516  -0.036424  -0.015719  -0.069083   0.068187  -0.039157
    11  H    0.068868   0.113072  -0.154439   0.033390   0.009190   0.063609
    12  H   -0.009614   0.067528   0.036936  -0.037600  -0.225846  -0.001694
    13  H   -0.074379  -0.029144  -0.041415  -0.133287   0.347816   0.071057
    14  C    0.023571   0.076419  -0.019503  -0.125822  -0.041514  -0.200217
    15  H    0.033527   0.043908   0.086662   0.127331  -1.226036   0.201553
    16  H    0.211160   0.067662   0.047749   0.024430  -0.285814  -0.405963
    17  H   -0.319142   0.037331  -0.039214   0.010564   0.401965   0.144795
    18  H   -0.082673  -0.018628  -0.035677  -0.056209   0.138779  -0.037432
    19  H    0.010892  -0.010679   0.059597  -0.093713   0.112846   0.017510
    20  H    0.083361   0.026938  -0.032933   0.020002   0.062971  -0.075845
               7          8          9         10         11         12
     1  C   -0.148103   0.246327  -0.234712  -0.053516   0.068868  -0.009614
     2  C    0.038563  -0.460265   0.261223  -0.036424   0.113072   0.067528
     3  C    0.032655   0.086552   0.074252  -0.015719  -0.154439   0.036936
     4  C   -0.033398   0.081491  -0.026978  -0.069083   0.033390  -0.037600
     5  C    0.062379  -0.005149  -0.010336   0.068187   0.009190  -0.225846
     6  C    0.040221   0.092802  -0.046340  -0.039157   0.063609  -0.001694
     7  O    8.560343  -0.064106   0.031713   0.002330  -0.001799   0.001465
     8  H   -0.064106   1.832930  -0.332313  -0.155981   0.008178   0.005077
     9  H    0.031713  -0.332313   1.542050   0.134465  -0.162475   0.015865
    10  H    0.002330  -0.155981   0.134465   2.038124  -0.484034  -0.124260
    11  H   -0.001799   0.008178  -0.162475  -0.484034   1.888288  -0.040948
    12  H    0.001465   0.005077   0.015865  -0.124260  -0.040948   2.092147
    13  H   -0.000487   0.004769  -0.004692   0.093439  -0.089251  -0.549449
    14  C    0.000144   0.001886  -0.005613  -0.033354   0.009746   0.113187
    15  H    0.003054  -0.008266   0.015153   0.007421   0.011707   0.005344
    16  H   -0.053875   0.008768   0.011139   0.010151  -0.002447  -0.005581
    17  H    0.028001   0.008730  -0.040693  -0.022072   0.011624   0.016948
    18  H    0.025436  -0.004346   0.001689   0.031181   0.006164  -0.025136
    19  H   -0.001451   0.003006  -0.004332  -0.032731   0.010932  -0.004871
    20  H   -0.011487   0.000130   0.002663   0.004239  -0.004148   0.029879
              13         14         15         16         17         18
     1  C   -0.074379   0.023571   0.033527   0.211160  -0.319142  -0.082673
     2  C   -0.029144   0.076419   0.043908   0.067662   0.037331  -0.018628
     3  C   -0.041415  -0.019503   0.086662   0.047749  -0.039214  -0.035677
     4  C   -0.133287  -0.125822   0.127331   0.024430   0.010564  -0.056209
     5  C    0.347816  -0.041514  -1.226036  -0.285814   0.401965   0.138779
     6  C    0.071057  -0.200217   0.201553  -0.405963   0.144795  -0.037432
     7  O   -0.000487   0.000144   0.003054  -0.053875   0.028001   0.025436
     8  H    0.004769   0.001886  -0.008266   0.008768   0.008730  -0.004346
     9  H   -0.004692  -0.005613   0.015153   0.011139  -0.040693   0.001689
    10  H    0.093439  -0.033354   0.007421   0.010151  -0.022072   0.031181
    11  H   -0.089251   0.009746   0.011707  -0.002447   0.011624   0.006164
    12  H   -0.549449   0.113187   0.005344  -0.005581   0.016948  -0.025136
    13  H    1.958650  -0.079190  -0.112176   0.016732  -0.029473  -0.005285
    14  C   -0.079190   4.618344   0.082495   0.103172  -0.050992   0.340159
    15  H   -0.112176   0.082495   2.334518   0.031798  -0.130945   0.072637
    16  H    0.016732   0.103172   0.031798   2.092849  -0.468638  -0.046612
    17  H   -0.029473  -0.050992  -0.130945  -0.468638   1.694076   0.004274
    18  H   -0.005285   0.340159   0.072637  -0.046612   0.004274   1.619918
    19  H    0.020711   0.107548  -0.055467   0.027872  -0.010082  -0.338596
    20  H   -0.014609   0.143239  -0.063829   0.006885   0.019001  -0.362861
              19         20
     1  C    0.010892   0.083361
     2  C   -0.010679   0.026938
     3  C    0.059597  -0.032933
     4  C   -0.093713   0.020002
     5  C    0.112846   0.062971
     6  C    0.017510  -0.075845
     7  O   -0.001451  -0.011487
     8  H    0.003006   0.000130
     9  H   -0.004332   0.002663
    10  H   -0.032731   0.004239
    11  H    0.010932  -0.004148
    12  H   -0.004871   0.029879
    13  H    0.020711  -0.014609
    14  C    0.107548   0.143239
    15  H   -0.055467  -0.063829
    16  H    0.027872   0.006885
    17  H   -0.010082   0.019001
    18  H   -0.338596  -0.362861
    19  H    1.775952  -0.411720
    20  H   -0.411720   1.780884
 Mulliken charges:
               1
     1  C    0.220345
     2  C    0.740826
     3  C    0.696855
     4  C    1.061043
     5  C   -0.593489
     6  C    1.080461
     7  O   -0.511597
     8  H   -0.350219
     9  H   -0.221728
    10  H   -0.323204
    11  H   -0.295227
    12  H   -0.359377
    13  H   -0.350337
    14  C    0.936295
    15  H   -0.460390
    16  H   -0.391434
    17  H   -0.266058
    18  H   -0.226785
    19  H   -0.183223
    20  H   -0.202759
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.220345
     2  C    0.168879
     3  C    0.078424
     4  C    0.351330
     5  C   -1.053878
     6  C    0.422969
     7  O   -0.511597
    14  C    0.323528
 Electronic spatial extent (au):  <R**2>=            944.8102
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.6788    Y=              1.7014    Z=              1.2728  Tot=              3.4191
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.8686   YY=            -50.2408   ZZ=            -49.3702
   XY=              4.6048   XZ=              2.4116   YZ=             -1.2562
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.7088   YY=              1.9190   ZZ=              2.7897
   XY=              4.6048   XZ=              2.4116   YZ=             -1.2562
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.8829  YYY=             -0.4897  ZZZ=              1.4966  XYY=             -1.6881
  XXY=              9.6613  XXZ=              4.5325  XZZ=              2.4699  YZZ=              0.3248
  YYZ=              1.4352  XYZ=             -1.8186
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -644.1135 YYYY=           -451.5852 ZZZZ=           -204.6492 XXXY=             15.6785
 XXXZ=             10.5513 YYYX=              2.4252 YYYZ=             -1.3539 ZZZX=             -3.1158
 ZZZY=              0.6967 XXYY=           -187.9604 XXZZ=           -137.4230 YYZZ=           -113.5929
 XXYZ=             -6.7286 YYXZ=              0.5230 ZZXY=              0.0354
 N-N= 3.941249269825D+02 E-N=-1.598786019644D+03  KE= 3.462947292455D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 20:05:16 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1937    1.1936       -0.7193   -0.7196
 2     -1.1937   -1.1936       -0.2042   -0.2045       -1.1500   -1.1511
 3      0.7193    0.7196        6.9736    6.9736        0.2042    0.2045
 4      0.2042    0.2045       -0.0000    0.0000        0.7194    0.7196
 5     -5.8236   -5.8225       -0.7194   -0.7196        1.1940    1.1936
 6     -0.2042   -0.2045       -1.1940   -1.1936       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5809   -3.5809       -2.1588   -2.1588
 2      0.6136    0.6136        0.0000    0.0000       -2.1588   -2.1588
 3      0.6136    0.6136       -3.5809   -3.5809        0.0000    0.0000
 4     -3.5809   -3.5809       -0.6136   -0.6136       -3.4533   -3.4533
 5      2.1588    2.1588       20.9207   20.9207        0.6136    0.6136
 6    -17.4675  -17.4675       -2.1588   -2.1588        3.5809    3.5809
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0093    0.0000       -4.7934   -4.7746        2.8861    2.8784
 2      4.7776    4.7746        0.8039    0.8181        4.5808    4.6044
 3     -2.8759   -2.8784      -27.9078  -27.8943       -0.7943   -0.8181
 4     -0.8083   -0.8181       -0.0077    0.0000       -2.8679   -2.8784
 5     23.3009   23.2900        2.8826    2.8784       -4.7508   -4.7746
 6      0.8178    0.8181        4.7723    4.7746        0.0104    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0017    0.0000        7.7116    7.6832        8.8673    8.9135
 2     -7.7230   -7.6832       -5.1678   -5.1869       -1.7502   -1.7451
 3     -8.9195   -8.9135        4.2418    4.2608        5.1911    5.1869
 4      5.2229    5.1869        0.0156    0.0000       -8.9195   -8.9135
 5     -2.4929   -2.5157        8.9037    8.9135        7.7029    7.6832
 6     -5.1914   -5.1869       -7.7078   -7.6832        0.0174    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.7291    4.7364       10.9435   10.9561      -19.8035  -19.8150
 2     12.5873   12.5812       17.9811   17.9830      -19.8358  -19.8150
 3     12.5921   12.5812       10.9619   10.9561      -27.3996  -27.3928
 4     -7.0333   -7.0269       -7.8588   -7.8449        4.5060    4.5356
 5     -7.5988   -7.5778        4.6560    4.6299        7.8384    7.8449
 6     -9.1374   -9.1655        7.5275    7.5778        7.0378    7.0269
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.8793                 0.4257                 0.1354
  Dep-P Fr= 1--      0.6990                 0.6754                 0.4369
  Dep-U Fr= 1--      0.8229                 0.8062                 0.6081
 Alpha2 Fr= 1--      0.0008                 0.0006                 0.0009
 Beta2  Fr= 1--      0.1206                 0.0572                 0.0137
 AlphaG Fr= 1--     -0.0006                -0.0003                -0.0025
 Gamma2 Fr= 1--      0.0482                -0.0879                -0.0651
 Delta2 Fr= 1--      0.0295                -0.0075                 0.0014
 Raman1 Fr= 1--       3.517                  1.703                  0.541
 ROA1   Fr= 1--       5.568                 -8.677                 -6.205
 CID1   Fr= 1--       1.583                 -5.096                -11.459
 Raman2 Fr= 1--       1.447                  0.686                  0.165
 ROA2   Fr= 1--       0.921                 -2.049                 -1.574
 CID2   Fr= 1--       0.636                 -2.985                 -9.559
 Raman3 Fr= 1--       2.894                  1.373                  0.329
 ROA3   Fr= 1--       5.568                 -8.677                 -6.205
 CID3   Fr= 1--       1.924                 -6.321                -18.843
 RC180  Fr= 1--       0.646                  0.612                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.3837                 0.6511                 0.5328
  Dep-P Fr= 1--      0.2755                 0.7036                 0.6535
  Dep-U Fr= 1--      0.4319                 0.8260                 0.7905
 Alpha2 Fr= 1--      0.0042                 0.0005                 0.0009
 Beta2  Fr= 1--      0.0276                 0.0896                 0.0702
 AlphaG Fr= 1--      0.0041                -0.0018                -0.0028
 Gamma2 Fr= 1--      0.0746                -0.1057                 0.1738
 Delta2 Fr= 1--     -0.0247                -0.0896                -0.0042
 Raman1 Fr= 1--       1.535                  2.605                  2.131
 ROA1   Fr= 1--       6.374                -13.014                 16.549
 CID1   Fr= 1--       4.154                 -4.997                  7.765
 Raman2 Fr= 1--       0.331                  1.076                  0.842
 ROA2   Fr= 1--       1.988                 -1.820                  4.205
 CID2   Fr= 1--       5.999                 -1.692                  4.992
 Raman3 Fr= 1--       0.663                  2.151                  1.685
 ROA3   Fr= 1--       6.374                -13.014                 16.549
 CID3   Fr= 1--       9.616                 -6.049                  9.823
 RC180  Fr= 1--      -0.136                  0.652                  0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      0.9711                 0.4998                 0.9673
  Dep-P Fr= 1--      0.6390                 0.6731                 0.7249
  Dep-U Fr= 1--      0.7798                 0.8046                 0.8405
 Alpha2 Fr= 1--      0.0019                 0.0007                 0.0004
 Beta2  Fr= 1--      0.1262                 0.0670                 0.1355
 AlphaG Fr= 1--     -0.0039                 0.0070                -0.0075
 Gamma2 Fr= 1--     -0.5341                 0.3130                 0.0838
 Delta2 Fr= 1--      0.0463                -0.0180                 0.0431
 Raman1 Fr= 1--       3.884                  1.999                  3.869
 ROA1   Fr= 1--     -49.795                 29.473                  9.424
 CID1   Fr= 1--     -12.819                 14.744                  2.436
 Raman2 Fr= 1--       1.514                  0.804                  1.626
 ROA2   Fr= 1--     -13.189                  7.656                  1.666
 CID2   Fr= 1--      -8.709                  9.520                  1.025
 Raman3 Fr= 1--       3.029                  1.608                  3.252
 ROA3   Fr= 1--     -49.795                 29.473                  9.424
 CID3   Fr= 1--     -16.440                 18.324                  2.898
 RC180  Fr= 1--       0.560                  0.609                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.4756                 9.2863                11.5102
  Dep-P Fr= 1--      0.1397                 0.0288                 0.0516
  Dep-U Fr= 1--      0.2451                 0.0560                 0.0982
 Alpha2 Fr= 1--      0.0234                 0.1929                 0.2265
 Beta2  Fr= 1--      0.0603                 0.0866                 0.1884
 AlphaG Fr= 1--      0.0357                -0.0808                 0.0897
 Gamma2 Fr= 1--     -0.1043                 0.4078                 0.0506
 Delta2 Fr= 1--      0.1541                 0.1430                -0.6660
 Raman1 Fr= 1--       5.902                 37.145                 46.041
 ROA1   Fr= 1--      -5.085                 43.726                -16.450
 CID1   Fr= 1--      -0.861                  1.177                 -0.357
 Raman2 Fr= 1--       0.723                  1.040                  2.261
 ROA2   Fr= 1--      -3.737                  8.644                  6.544
 CID2   Fr= 1--      -5.167                  8.315                  2.894
 Raman3 Fr= 1--       1.447                  2.079                  4.522
 ROA3   Fr= 1--      -5.085                 43.726                -16.450
 CID3   Fr= 1--      -3.515                 21.030                 -3.638
 RC180  Fr= 1--      -0.510                 -0.888                 -0.804
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.5703                 0.6026                 3.0043
  Dep-P Fr= 1--      0.0842                 0.5702                 0.4175
  Dep-U Fr= 1--      0.1554                 0.7262                 0.5891
 Alpha2 Fr= 1--      0.0468                 0.0020                 0.0209
 Beta2  Fr= 1--      0.0666                 0.0729                 0.2950
 AlphaG Fr= 1--      0.0902                -0.0115                -0.0448
 Gamma2 Fr= 1--      0.4664                 0.2026                -1.2211
 Delta2 Fr= 1--      0.2575                 0.2502                -0.7617
 Raman1 Fr= 1--      10.281                  2.410                 12.017
 ROA1   Fr= 1--      53.009                 27.460               -141.599
 CID1   Fr= 1--       5.156                 11.392                -11.783
 Raman2 Fr= 1--       0.799                  0.875                  3.539
 ROA2   Fr= 1--       9.133                  2.862                -23.213
 CID2   Fr= 1--      11.435                  3.270                 -6.558
 Raman3 Fr= 1--       1.597                  1.751                  7.079
 ROA3   Fr= 1--      53.009                 27.460               -141.599
 CID3   Fr= 1--      33.185                 15.687                -20.003
 RC180  Fr= 1--      -0.689                  0.452                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.5925                 3.3628                 3.7882
  Dep-P Fr= 1--      0.3823                 0.3613                 0.5805
  Dep-U Fr= 1--      0.5531                 0.5308                 0.7346
 Alpha2 Fr= 1--      0.0047                 0.0285                 0.0120
 Beta2  Fr= 1--      0.0546                 0.2975                 0.4638
 AlphaG Fr= 1--      0.0090                -0.0693                -0.0797
 Gamma2 Fr= 1--      0.0743                 1.7398                 0.9912
 Delta2 Fr= 1--      0.4963                 1.1882                -0.4618
 Raman1 Fr= 1--       2.370                 13.451                 15.153
 ROA1   Fr= 1--      23.017                205.046                 80.373
 CID1   Fr= 1--       9.713                 15.244                  5.304
 Raman2 Fr= 1--       0.655                  3.570                  5.566
 ROA2   Fr= 1--      -2.186                 32.250                 27.482
 CID2   Fr= 1--      -3.335                  9.034                  4.938
 Raman3 Fr= 1--       1.311                  7.139                 11.131
 ROA3   Fr= 1--      23.017                205.046                 80.373
 CID3   Fr= 1--      17.560                 28.720                  7.221
 RC180  Fr= 1--       0.106                  0.062                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.0270                 1.9205                 3.7017
  Dep-P Fr= 1--      0.6996                 0.6966                 0.6435
  Dep-U Fr= 1--      0.8233                 0.8212                 0.7831
 Alpha2 Fr= 1--      0.0027                 0.0018                 0.0071
 Beta2  Fr= 1--      0.4153                 0.2628                 0.4831
 AlphaG Fr= 1--     -0.0150                 0.0085                -0.0283
 Gamma2 Fr= 1--     -1.2423                -1.2661                 0.4188
 Delta2 Fr= 1--     -0.5633                -0.6312                 0.0248
 Raman1 Fr= 1--      12.108                  7.682                 14.807
 ROA1   Fr= 1--    -137.290               -141.740                 41.001
 CID1   Fr= 1--     -11.339                -18.451                  2.769
 Raman2 Fr= 1--       4.984                  3.154                  5.798
 ROA2   Fr= 1--     -25.310                -25.336                  9.854
 CID2   Fr= 1--      -5.078                 -8.033                  1.700
 Raman3 Fr= 1--       9.968                  6.308                 11.595
 ROA3   Fr= 1--    -137.290               -141.740                 41.001
 CID3   Fr= 1--     -13.773                -22.469                  3.536
 RC180  Fr= 1--       0.647                  0.642                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.5383                 2.7273                 2.1660
  Dep-P Fr= 1--      0.4983                 0.6923                 0.7206
  Dep-U Fr= 1--      0.6651                 0.8182                 0.8376
 Alpha2 Fr= 1--      0.0027                 0.0028                 0.0011
 Beta2  Fr= 1--      0.0597                 0.3719                 0.3024
 AlphaG Fr= 1--      0.0252                 0.0216                -0.0016
 Gamma2 Fr= 1--     -0.2109                 0.2613                -0.0843
 Delta2 Fr= 1--     -0.1456                 0.2187                -0.0053
 Raman1 Fr= 1--       2.153                 10.909                  8.664
 ROA1   Fr= 1--     -24.903                 32.081                 -8.263
 CID1   Fr= 1--     -11.567                  2.941                 -0.954
 Raman2 Fr= 1--       0.716                  4.463                  3.628
 ROA2   Fr= 1--      -3.896                  4.520                 -1.981
 CID2   Fr= 1--      -5.441                  1.013                 -0.546
 Raman3 Fr= 1--       1.432                  8.926                  7.257
 ROA3   Fr= 1--     -24.903                 32.081                 -8.263
 CID3   Fr= 1--     -17.390                  3.594                 -1.139
 RC180  Fr= 1--       0.330                  0.636                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.3224                 2.3706                 8.0999
  Dep-P Fr= 1--      0.7277                 0.6426                 0.6237
  Dep-U Fr= 1--      0.8424                 0.7824                 0.7682
 Alpha2 Fr= 1--      0.0009                 0.0046                 0.0187
 Beta2  Fr= 1--      0.3260                 0.3091                 1.0371
 AlphaG Fr= 1--      0.0103                 0.0201                 0.0269
 Gamma2 Fr= 1--      2.7784                -0.5936                 2.1214
 Delta2 Fr= 1--      0.6176                -0.4486                -0.2821
 Raman1 Fr= 1--       9.289                  9.483                 32.400
 ROA1   Fr= 1--     286.487                -71.341                194.624
 CID1   Fr= 1--      30.840                 -7.523                  6.007
 Raman2 Fr= 1--       3.913                  3.710                 12.445
 ROA2   Fr= 1--      61.740                -10.658                 53.169
 CID2   Fr= 1--      15.780                 -2.873                  4.272
 Raman3 Fr= 1--       7.825                  7.419                 24.890
 ROA3   Fr= 1--     286.487                -71.341                194.624
 CID3   Fr= 1--      36.611                 -9.616                  7.819
 RC180  Fr= 1--       0.685                  0.565                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      3.5126                 4.0135                 3.5165
  Dep-P Fr= 1--      0.6492                 0.7413                 0.7324
  Dep-U Fr= 1--      0.7873                 0.8515                 0.8455
 Alpha2 Fr= 1--      0.0064                 0.0006                 0.0011
 Beta2  Fr= 1--      0.4609                 0.5696                 0.4956
 AlphaG Fr= 1--      0.0331                -0.0023                -0.0043
 Gamma2 Fr= 1--     -3.3387                -0.0198                -1.0257
 Delta2 Fr= 1--     -0.6319                 0.7388                -0.4235
 Raman1 Fr= 1--      14.050                 16.054                 14.066
 ROA1   Fr= 1--    -340.737                 21.744               -112.022
 CID1   Fr= 1--     -24.251                  1.354                 -7.964
 Raman2 Fr= 1--       5.531                  6.835                  5.947
 ROA2   Fr= 1--     -75.073                 -6.384                -21.229
 CID2   Fr= 1--     -13.573                 -0.934                 -3.570
 Raman3 Fr= 1--      11.062                 13.669                 11.894
 ROA3   Fr= 1--    -340.737                 21.744               -112.022
 CID3   Fr= 1--     -30.803                  1.591                 -9.419
 RC180  Fr= 1--       0.575                  0.703                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      3.4435                 0.7062                 1.2349
  Dep-P Fr= 1--      0.6962                 0.7402                 0.7458
  Dep-U Fr= 1--      0.8209                 0.8507                 0.8544
 Alpha2 Fr= 1--      0.0032                 0.0001                 0.0001
 Beta2  Fr= 1--      0.4711                 0.1001                 0.1758
 AlphaG Fr= 1--     -0.0029                 0.0007                 0.0019
 Gamma2 Fr= 1--     -0.8542                 0.8227                 0.6789
 Delta2 Fr= 1--     -0.1779                 0.7730                 0.1071
 Raman1 Fr= 1--      13.774                  2.825                  4.939
 ROA1   Fr= 1--     -87.697                103.719                 68.606
 CID1   Fr= 1--      -6.367                 36.718                 13.889
 Raman2 Fr= 1--       5.653                  1.202                  2.110
 ROA2   Fr= 1--     -19.078                 13.561                 15.438
 CID2   Fr= 1--      -3.375                 11.286                  7.316
 Raman3 Fr= 1--      11.307                  2.403                  4.220
 ROA3   Fr= 1--     -87.697                103.719                 68.606
 CID3   Fr= 1--      -7.756                 43.160                 16.257
 RC180  Fr= 1--       0.642                  0.701                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.4391                 0.1207                 8.7244
  Dep-P Fr= 1--      0.2316                 0.5235                 0.7492
  Dep-U Fr= 1--      0.3761                 0.6872                 0.8566
 Alpha2 Fr= 1--      0.0055                 0.0005                 0.0001
 Beta2  Fr= 1--      0.0275                 0.0138                 1.2456
 AlphaG Fr= 1--     -0.0257                -0.0017                -0.0092
 Gamma2 Fr= 1--      0.0910                 0.0757                -0.1469
 Delta2 Fr= 1--     -0.0837                 0.0058                 0.2381
 Raman1 Fr= 1--       1.757                  0.483                 34.898
 ROA1   Fr= 1--       6.061                  7.453                 -6.480
 CID1   Fr= 1--       3.450                 15.443                 -0.186
 Raman2 Fr= 1--       0.330                  0.166                 14.947
 ROA2   Fr= 1--       2.854                  1.770                 -5.430
 CID2   Fr= 1--       8.639                 10.674                 -0.363
 Raman3 Fr= 1--       0.661                  0.332                 29.893
 ROA3   Fr= 1--       6.061                  7.453                 -6.480
 CID3   Fr= 1--       9.173                 22.471                 -0.217
 RC180  Fr= 1--      -0.248                  0.374                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      3.7403                 6.3847                 4.6841
  Dep-P Fr= 1--      0.7467                 0.7482                 0.7479
  Dep-U Fr= 1--      0.8550                 0.8560                 0.8557
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0002
 Beta2  Fr= 1--      0.5330                 0.9109                 0.6681
 AlphaG Fr= 1--      0.0007                -0.0032                 0.0014
 Gamma2 Fr= 1--      0.6144                -2.1936                -0.7365
 Delta2 Fr= 1--      0.2670                -1.0714                 0.1422
 Raman1 Fr= 1--      14.961                 25.539                 18.736
 ROA1   Fr= 1--      67.531               -244.875                -66.154
 CID1   Fr= 1--       4.514                 -9.588                 -3.531
 Raman2 Fr= 1--       6.396                 10.930                  8.017
 ROA2   Fr= 1--      12.611                -44.076                -18.813
 CID2   Fr= 1--       1.972                 -4.032                 -2.347
 Raman3 Fr= 1--      12.791                 21.861                 16.034
 ROA3   Fr= 1--      67.531               -244.875                -66.154
 CID3   Fr= 1--       5.279                -11.202                 -4.126
 RC180  Fr= 1--       0.710                  0.712                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      0.9928                 2.7752                19.8302
  Dep-P Fr= 1--      0.4582                 0.6339                 0.4072
  Dep-U Fr= 1--      0.6285                 0.7759                 0.5787
 Alpha2 Fr= 1--      0.0059                 0.0058                 0.1432
 Beta2  Fr= 1--      0.1040                 0.3589                 1.9126
 AlphaG Fr= 1--     -0.0055                 0.0237                -0.0107
 Gamma2 Fr= 1--     -0.1329                 0.7360                 0.8820
 Delta2 Fr= 1--      0.0983                 0.3353                -0.2026
 Raman1 Fr= 1--       3.971                 11.101                 79.321
 ROA1   Fr= 1--      -9.611                 81.383                 78.186
 CID1   Fr= 1--      -2.420                  7.331                  0.986
 Raman2 Fr= 1--       1.248                  4.307                 22.951
 ROA2   Fr= 1--      -3.975                 14.981                 22.788
 CID2   Fr= 1--      -3.185                  3.479                  0.993
 Raman3 Fr= 1--       2.496                  8.613                 45.902
 ROA3   Fr= 1--      -9.611                 81.383                 78.186
 CID3   Fr= 1--      -3.851                  9.448                  1.703
 RC180  Fr= 1--       0.257                  0.552                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     41.1050               100.5302                63.8920
  Dep-P Fr= 1--      0.1969                 0.3026                 0.3175
  Dep-U Fr= 1--      0.3291                 0.4647                 0.4820
 Alpha2 Fr= 1--      0.5628                 1.0229                 0.6215
 Beta2  Fr= 1--      2.2544                 7.7854                 5.1322
 AlphaG Fr= 1--      1.2998                -0.4384                -0.5226
 Gamma2 Fr= 1--      0.2221                -4.1267                10.9168
 Delta2 Fr= 1--      0.8547                -3.6118                 4.6911
 Raman1 Fr= 1--     164.420                402.121                255.568
 ROA1   Fr= 1--      48.669               -511.746               1198.127
 CID1   Fr= 1--       0.296                 -1.273                  4.688
 Raman2 Fr= 1--      27.053                 93.425                 61.587
 ROA2   Fr= 1--      -1.509                -70.147                224.474
 CID2   Fr= 1--      -0.056                 -0.751                  3.645
 Raman3 Fr= 1--      54.106                186.851                123.173
 ROA3   Fr= 1--      48.669               -511.746               1198.127
 CID3   Fr= 1--       0.899                 -2.739                  9.727
 RC180  Fr= 1--      -0.342                 -0.071                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    119.1662               226.7457               180.5543
  Dep-P Fr= 1--      0.2329                 0.0294                 0.0735
  Dep-U Fr= 1--      0.3778                 0.0571                 0.1369
 Alpha2 Fr= 1--      1.4811                 4.7031                 3.3716
 Beta2  Fr= 1--      7.5026                 2.1577                 4.1190
 AlphaG Fr= 1--      0.6723                 1.1658                -1.6127
 Gamma2 Fr= 1--      7.4149                -5.2478                -7.6413
 Delta2 Fr= 1--      3.9293                -2.4845                -7.4002
 Raman1 Fr= 1--     476.665                906.983                722.217
 ROA1   Fr= 1--     837.565               -583.292               -970.375
 CID1   Fr= 1--       1.757                 -0.643                 -1.344
 Raman2 Fr= 1--      90.031                 25.893                 49.428
 ROA2   Fr= 1--     146.522               -106.071               -124.190
 CID2   Fr= 1--       1.627                 -4.097                 -2.513
 Raman3 Fr= 1--     180.061                 51.785                 98.857
 ROA3   Fr= 1--     837.565               -583.292               -970.375
 CID3   Fr= 1--       4.652                -11.264                 -9.816
 RC180  Fr= 1--      -0.244                 -0.886                 -0.726
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    156.6652                68.5271                48.3265
  Dep-P Fr= 1--      0.1857                 0.4863                 0.6617
  Dep-U Fr= 1--      0.3132                 0.6544                 0.7964
 Alpha2 Fr= 1--      2.2095                 0.3602                 0.0761
 Beta2  Fr= 1--      8.1770                 7.4738                 6.4149
 AlphaG Fr= 1--     -1.0801                -0.5643                 0.2202
 Gamma2 Fr= 1--      9.3784               -26.7833                -6.8676
 Delta2 Fr= 1--      8.3512               -12.8478                -5.5614
 Raman1 Fr= 1--     626.661                274.109                193.306
 ROA1   Fr= 1--    1167.569              -2982.331               -837.259
 CID1   Fr= 1--       1.863                -10.880                 -4.331
 Raman2 Fr= 1--      98.124                 89.686                 76.979
 ROA2   Fr= 1--     158.273               -540.018               -120.332
 CID2   Fr= 1--       1.613                 -6.021                 -1.563
 Raman3 Fr= 1--     196.248                179.372                153.957
 ROA3   Fr= 1--    1167.569              -2982.331               -837.259
 CID3   Fr= 1--       5.949                -16.626                 -5.438
 RC180  Fr= 1--      -0.374                  0.309                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     18.6146               122.2459               107.2193
  Dep-P Fr= 1--      0.5269                 0.5154                 0.2989
  Dep-U Fr= 1--      0.6901                 0.6802                 0.4602
 Alpha2 Fr= 1--      0.0806                 0.5607                 1.1034
 Beta2  Fr= 1--      2.1411                13.8594                 8.2236
 AlphaG Fr= 1--     -0.0012                 0.1122                -0.1853
 Gamma2 Fr= 1--     14.4345                -3.6131                 5.1389
 Delta2 Fr= 1--     10.2159                 0.6972                 3.3563
 Raman1 Fr= 1--      74.458                488.984                428.877
 ROA1   Fr= 1--    1712.622               -324.550                600.735
 CID1   Fr= 1--      23.001                 -0.664                  1.401
 Raman2 Fr= 1--      25.693                166.313                 98.683
 ROA2   Fr= 1--     264.701                -92.293                 96.483
 CID2   Fr= 1--      10.302                 -0.555                  0.978
 Raman3 Fr= 1--      51.387                332.626                197.366
 ROA3   Fr= 1--    1712.622               -324.550                600.735
 CID3   Fr= 1--      33.328                 -0.976                  3.044
 RC180  Fr= 1--       0.380                  0.360                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.914839D+02 -0.143919D+01 -0.238729D+01
      2  -0.143919D+01  0.891817D+02  0.409072D+00
      3  -0.238729D+01  0.409072D+00  0.775367D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.896628D+00  0.349415D+01 -0.339013D+01
      2  -0.124077D+02 -0.240560D-01 -0.170562D+02
      3   0.110734D+02  0.118693D+02  0.123379D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.279529D+02 -0.195862D+02 -0.258142D+02
      2   0.163446D+02  0.211893D+02  0.157862D+01
      3   0.116083D+02 -0.160315D+01  0.242355D+02
      4  -0.283817D+01 -0.229613D+02 -0.178927D+01
      5  -0.229946D+02 -0.180500D+01 -0.355426D+02
      6   0.494232D+00 -0.317959D+01  0.811791D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.351472D+01  0.445572D+01  0.932296D+00  0.446308D+01 -0.143943D+01
      2   0.445572D+01 -0.207910D+00 -0.226176D+01 -0.143943D+01 -0.263347D+01
      3   0.932296D+00 -0.226176D+01  0.633635D+00 -0.213984D+01  0.155943D+01
                 6             7             8             9            10 
      1  -0.213984D+01  0.139181D+01 -0.255048D+01 -0.149903D+00 -0.969336D-01
      2   0.155943D+01 -0.255048D+01  0.102766D+01  0.187331D+01 -0.376947D+01
      3   0.166886D+01 -0.149903D+00  0.187331D+01  0.106385D+01  0.245823D+01
                11            12            13            14            15 
      1  -0.376947D+01  0.245823D+01 -0.347990D+01  0.434265D+00  0.730391D+00
      2  -0.532901D+00  0.653582D+00  0.434265D+00  0.248009D+01 -0.140283D+01
      3   0.653582D+00 -0.271699D+01  0.730391D+00 -0.140283D+01 -0.237436D+01
                16            17            18            19            20 
      1   0.384830D+01  0.559710D+00 -0.315617D+01 -0.282189D+01  0.301831D+01
      2   0.559710D+00 -0.161702D+01 -0.338152D+01  0.301831D+01 -0.328927D+00
      3  -0.315617D+01 -0.338152D+01 -0.315714D+01 -0.159027D+01 -0.142651D+00
                21            22            23            24            25 
      1  -0.159027D+01  0.205182D+01  0.817592D+00 -0.109179D+00 -0.189544D+01
      2  -0.142651D+00  0.817592D+00 -0.771470D+01  0.532312D+00  0.591031D-01
      3   0.163950D+01 -0.109179D+00  0.532312D+00  0.190086D+01  0.168354D+01
                26            27            28            29            30 
      1   0.591031D-01  0.168354D+01  0.593630D+01 -0.340104D+01  0.272869D+01
      2  -0.419653D+00  0.189890D+01 -0.340104D+01  0.181434D+00 -0.123882D+00
      3   0.189890D+01  0.590515D+01  0.272869D+01 -0.123882D+00 -0.809014D+00
                31            32            33            34            35 
      1  -0.324575D+01 -0.151862D+00 -0.146277D-02  0.376619D+01 -0.301162D+00
      2  -0.151862D+00  0.391929D+01 -0.355651D+00 -0.301162D+00 -0.813729D+00
      3  -0.146277D-02 -0.355651D+00 -0.266284D+01 -0.504236D+00 -0.353442D+01
                36            37            38            39            40 
      1  -0.504236D+00 -0.368690D+01  0.286652D+01 -0.352568D+01  0.387244D+01
      2  -0.353442D+01  0.286652D+01  0.976923D+00  0.692742D-02  0.801645D+00
      3  -0.572061D+01 -0.352568D+01  0.692742D-02  0.263352D+01 -0.185895D+00
                41            42            43            44            45 
      1   0.801645D+00 -0.185895D+00 -0.447065D+01 -0.154300D+00  0.331077D+01
      2  -0.453287D+01 -0.536291D-01 -0.154300D+00  0.309778D+00  0.356234D+01
      3  -0.536291D-01  0.313529D+01  0.331077D+01  0.356234D+01  0.107279D+01
                46            47            48            49            50 
      1   0.399879D+01 -0.265860D+01  0.148251D+01 -0.185974D+01 -0.170025D+01
      2  -0.265860D+01 -0.181066D+01  0.620116D+00 -0.170025D+01  0.729434D+01
      3   0.148251D+01  0.620116D+00 -0.132237D+01  0.331942D+00 -0.325008D+00
                51            52            53            54            55 
      1   0.331942D+00  0.101910D+01  0.161305D+00 -0.723964D+00  0.109798D+02
      2  -0.325008D+00  0.161305D+00  0.624634D+00 -0.224990D+01 -0.469097D+01
      3  -0.277182D+01 -0.723964D+00 -0.224990D+01 -0.536141D+01 -0.266866D+01
                56            57            58            59            60 
      1  -0.469097D+01 -0.266866D+01 -0.488846D+01  0.424960D+01  0.159462D+01
      2   0.293527D+01  0.123477D+01  0.424960D+01 -0.421543D+01 -0.193853D+01
      3   0.123477D+01  0.137870D+01  0.159462D+01 -0.193853D+01 -0.162710D+01
                61            62            63            64            65 
      1  -0.343387D+01  0.196187D+01  0.332821D+01  0.563877D+01  0.242891D+01
      2   0.196187D+01 -0.180143D+01 -0.260684D+01  0.242891D+01  0.215075D+01
      3   0.332821D+01 -0.260684D+01 -0.329870D+01 -0.230696D+01 -0.962203D+00
                66            67            68            69            70 
      1  -0.230696D+01  0.172654D+01  0.160153D+01 -0.505316D+00 -0.344073D+01
      2  -0.962203D+00  0.160153D+01  0.151798D+01 -0.879614D+00 -0.129957D+01
      3   0.187313D+01 -0.505316D+00 -0.879614D+00  0.969093D+00  0.236096D+01
                71            72            73            74            75 
      1  -0.129957D+01  0.236096D+01  0.834670D+00  0.155904D+01  0.968982D+00
      2  -0.161716D+01  0.169809D+01  0.155904D+01  0.602567D+00  0.493477D+00
      3   0.169809D+01 -0.244070D+01  0.968982D+00  0.493477D+00  0.983784D+00
                76            77            78            79            80 
      1   0.143366D+01  0.707793D+00  0.512737D+00  0.183234D+01  0.824412D+00
      2   0.707793D+00  0.227374D+01  0.185406D+01  0.824412D+00  0.336067D+01
      3   0.512737D+00  0.185406D+01  0.195409D+01  0.193337D+01  0.269382D+01
                81            82            83            84            85 
      1   0.193337D+01 -0.307007D+00 -0.468910D+00 -0.864558D+00 -0.857054D+00
      2   0.269382D+01 -0.468910D+00 -0.220592D+00  0.734618D-01 -0.470703D+00
      3   0.551344D+01 -0.864558D+00  0.734618D-01 -0.806046D+00 -0.190934D+00
                86            87            88            89            90 
      1  -0.470703D+00 -0.190934D+00 -0.158574D+01 -0.128498D+00 -0.114239D+01
      2   0.919627D-01 -0.101358D+01 -0.128498D+00 -0.139609D+01  0.295491D+00
      3  -0.101358D+01 -0.113561D+01 -0.114239D+01  0.295491D+00 -0.766026D+01
                91            92            93            94            95 
      1  -0.120318D+00  0.122417D+01  0.154001D+00  0.155751D+01 -0.939563D+00
      2   0.122417D+01 -0.685152D+00  0.492359D-01 -0.939563D+00  0.118601D+02
      3   0.154001D+00  0.492359D-01 -0.334667D+00  0.954332D-01 -0.119050D+01
                96            97            98            99           100 
      1   0.954332D-01  0.411037D+00 -0.208563D-01 -0.365830D+00 -0.917011D+01
      2  -0.119050D+01 -0.208563D-01  0.782464D-01  0.113521D+01  0.277557D+01
      3   0.101164D+01 -0.365830D+00  0.113521D+01 -0.778563D+00 -0.110130D+01
               101           102           103           104           105 
      1   0.277557D+01 -0.110130D+01  0.210221D+01 -0.191039D+01  0.135651D+00
      2  -0.231110D+01  0.240815D+00 -0.191039D+01  0.116133D+01 -0.346260D+00
      3   0.240815D+00 -0.111939D+01  0.135651D+00 -0.346260D+00  0.682648D+00
               106           107           108           109           110 
      1  -0.238818D+01  0.681799D+00 -0.130690D+01 -0.439006D+00  0.918409D+00
      2   0.681799D+00 -0.916626D+00  0.953733D+00  0.918409D+00  0.277507D+00
      3  -0.130690D+01  0.953733D+00 -0.326449D+00  0.736471D+00  0.582444D-01
               111           112           113           114           115 
      1   0.736471D+00  0.939907D+00 -0.138747D+00 -0.330694D+00  0.120517D+01
      2   0.582444D-01 -0.138747D+00  0.164136D+01  0.193829D+01 -0.280018D+00
      3   0.414251D+00 -0.330694D+00  0.193829D+01  0.227585D+01 -0.834121D+00
               116           117           118           119           120 
      1  -0.280018D+00 -0.834121D+00  0.449712D+01 -0.200778D+01  0.373470D+01
      2   0.283104D+01  0.291462D+01 -0.200778D+01 -0.393048D+00 -0.400104D+00
      3   0.291462D+01  0.751301D+01  0.373470D+01 -0.400104D+00 -0.147057D+01
               121           122           123           124           125 
      1  -0.271491D+01  0.323285D+00 -0.794539D+00  0.341738D+01 -0.413447D+00
      2   0.323285D+00  0.708738D+01 -0.224236D+00 -0.413447D+00 -0.117350D+01
      3  -0.794539D+00 -0.224236D+00 -0.233180D+01 -0.217973D+01 -0.262312D+01
               126           127           128           129           130 
      1  -0.217973D+01 -0.493812D+01 -0.189542D+01  0.299042D+01 -0.193603D+01
      2  -0.262312D+01 -0.189542D+01 -0.166501D+01  0.749856D+00 -0.169933D+01
      3  -0.165100D+00  0.299042D+01  0.749856D+00 -0.290481D+01  0.778162D+00
               131           132           133           134           135 
      1  -0.169933D+01  0.778162D+00  0.343411D+01  0.923526D+00 -0.303643D+01
      2  -0.112763D+01  0.125773D+01  0.923526D+00  0.142916D+01 -0.172273D+01
      3   0.125773D+01 -0.164419D+01 -0.303643D+01 -0.172273D+01  0.407673D+01
               136           137           138           139           140 
      1   0.237446D+00 -0.110073D+01 -0.108023D+00 -0.156724D+01  0.955244D+00
      2  -0.110073D+01  0.117236D+01 -0.322215D+00  0.955244D+00 -0.924932D+01
      3  -0.108023D+00 -0.322215D+00  0.285782D+00 -0.349734D+00  0.144821D+01
               141           142           143           144           145 
      1  -0.349734D+00 -0.370391D+00 -0.209266D-01  0.230264D+00 -0.340584D+00
      2   0.144821D+01 -0.209266D-01 -0.254845D+00 -0.941459D+00  0.504384D+00
      3  -0.135380D+01  0.230264D+00 -0.941459D+00  0.871025D+00  0.107410D+01
               146           147           148           149           150 
      1   0.504384D+00  0.107410D+01  0.123748D+01  0.343786D+00  0.277253D-01
      2   0.246834D+00 -0.159018D+00  0.343786D+00 -0.779456D-02  0.111982D+01
      3  -0.159018D+00  0.104955D+01  0.277253D-01  0.111982D+01  0.178991D+01
               151           152           153           154           155 
      1   0.155484D+01  0.881313D-01  0.819386D+00  0.212232D+01  0.785181D+00
      2   0.881313D-01  0.133186D+01  0.280278D+00  0.785181D+00  0.123586D+01
      3   0.819386D+00  0.280278D+00  0.916635D+01 -0.149321D+01  0.164047D+00
               156           157           158           159           160 
      1  -0.149321D+01  0.871669D+00  0.615255D+00 -0.305305D-01 -0.196476D+01
      2   0.164047D+00  0.615255D+00 -0.389655D-03 -0.517619D+00 -0.284256D+00
      3   0.268880D+01 -0.305305D-01 -0.517619D+00  0.905493D+00  0.135844D+01
               161           162           163           164           165 
      1  -0.284256D+00  0.135844D+01 -0.805041D+01  0.322299D+00 -0.316633D+01
      2  -0.108096D+01  0.215657D+00  0.322299D+00 -0.149909D+01 -0.454976D-01
      3   0.215657D+00 -0.452254D+01 -0.316633D+01 -0.454976D-01 -0.229848D+01
               166           167           168           169           170 
      1   0.178140D+01 -0.989509D+00  0.773943D+00 -0.222978D+01  0.135547D+00
      2  -0.989509D+00 -0.392031D-02 -0.361721D+00  0.135547D+00 -0.261890D+00
      3   0.773943D+00 -0.361721D+00  0.102233D+01 -0.172867D+01  0.290751D+00
               171           172           173           174           175 
      1  -0.172867D+01 -0.759207D+00 -0.865590D+00 -0.435420D+00 -0.148863D+01
      2   0.290751D+00 -0.865590D+00 -0.125119D+00  0.727947D-01 -0.141022D+01
      3  -0.172573D+01 -0.435420D+00  0.727947D-01  0.201699D+00 -0.342487D+00
               176           177           178           179           180 
      1  -0.141022D+01 -0.342487D+00 -0.100736D+00  0.580993D-01  0.103402D+00
      2  -0.984201D+01 -0.110069D+01  0.580993D-01  0.359834D+00 -0.752229D+00
      3  -0.110069D+01 -0.141456D+01  0.103402D+00 -0.752229D+00 -0.251412D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.764332D+01  0.100359D+02 -0.260508D+01  0.832957D+01 -0.144655D+01
      2  -0.882140D+01 -0.947830D+01 -0.105058D+01 -0.794248D+01  0.143533D+01
      3  -0.478351D+01 -0.761451D+01  0.284821D+01  0.858837D+00 -0.135650D+01
                 6             7             8             9            10 
      1   0.696285D+01 -0.122850D+01  0.143986D+02 -0.435655D+01 -0.661791D+01
      2  -0.457890D+00 -0.114004D+02 -0.217592D+01  0.116868D+02  0.838339D+01
      3  -0.724799D+01  0.891678D+00 -0.108310D+02  0.216605D+01  0.119244D+02
                11            12            13            14            15 
      1  -0.516221D+00  0.290715D+01 -0.298700D+01  0.171569D+01 -0.157266D+01
      2   0.167025D+01 -0.277520D+01  0.242800D+01 -0.228533D+01 -0.241851D+01
      3  -0.728957D+01  0.253138D+01  0.765515D-01 -0.417740D+01  0.442989D+01
                16            17            18            19            20 
      1   0.304710D+01  0.856742D+01  0.626776D+01  0.467960D+01 -0.138663D+01
      2  -0.819617D+01 -0.414134D+01 -0.555753D+01 -0.103170D+01  0.145745D+01
      3   0.396691D+01  0.306482D+01 -0.391561D+00 -0.745353D+01  0.832036D+01
                21            22            23            24            25 
      1  -0.239550D+01  0.141091D+01  0.256704D+01 -0.674276D+01 -0.282311D+01
      2   0.269226D+00 -0.570510D+00  0.358447D+01 -0.103686D+01 -0.517360D+01
      3  -0.487348D+01  0.926241D+01  0.140214D+01 -0.189101D+01 -0.506872D+01
                26            27            28            29            30 
      1  -0.101549D+01 -0.123630D+02 -0.525703D+01  0.561352D+00  0.957184D+00
      2  -0.132130D+00  0.305567D+00 -0.999020D+01  0.131660D+01  0.239126D+01
      3  -0.158989D+01  0.330162D+01  0.656427D+00 -0.817825D+01  0.355822D+01
                31            32            33            34            35 
      1   0.883041D+00  0.353969D+01  0.175531D+01  0.386932D+00  0.717632D+01
      2   0.147348D+01  0.657815D+00  0.455229D+01 -0.383256D+01  0.569163D+01
      3  -0.214261D+01  0.671189D+01 -0.352112D-01  0.446105D+01 -0.140060D+01
                36            37            38            39            40 
      1   0.519949D+01 -0.419610D+00  0.324592D+00  0.794957D+00  0.888335D+00
      2   0.813715D+01  0.128473D+02 -0.963868D+00  0.156417D+01 -0.573653D+01
      3  -0.561206D+01  0.733998D+01 -0.480908D+01  0.240697D+01 -0.757400D+00
                41            42            43            44            45 
      1  -0.326460D+01 -0.128205D+01 -0.116088D+01  0.613006D+01  0.215556D+01
      2  -0.172261D+01 -0.287563D+01 -0.179397D+01 -0.390890D+01 -0.203100D+01
      3  -0.934921D+01  0.137164D+01  0.466627D+01  0.111191D+01  0.246086D+01
                46            47            48            49            50 
      1  -0.795300D+00 -0.362025D+01 -0.245397D+01 -0.325191D+01  0.798614D+01
      2  -0.776417D+01  0.446834D+01  0.797018D+00  0.544365D+01  0.155997D+01
      3  -0.314316D+01  0.423115D+01 -0.206401D+01  0.103440D+02 -0.276454D+01
                51            52            53            54            55 
      1  -0.815272D+01  0.328491D+00 -0.125108D+01 -0.804864D+01 -0.455342D+01
      2   0.185834D+01 -0.834590D+01  0.682199D+00 -0.258007D+01 -0.260846D+01
      3   0.132983D+01 -0.302398D+01  0.143884D+01  0.790419D+00  0.115186D+01
                56            57            58            59            60 
      1  -0.472610D+01  0.380484D+01 -0.127505D+01  0.341736D+00 -0.717515D+01
      2   0.405691D+01  0.905305D+01  0.393454D+01 -0.346952D+01 -0.354765D+01
      3  -0.858864D+01 -0.699121D+00  0.115152D+01  0.973182D+01  0.317283D+01
                61            62            63            64            65 
      1   0.111330D+01 -0.895831D+00 -0.554607D+00  0.301204D+01  0.107095D+01
      2   0.416436D+01 -0.102964D+01 -0.100977D+02 -0.224172D+01 -0.220240D+01
      3   0.886732D+00  0.807342D+01  0.897945D+00  0.496615D+01 -0.278511D+01
                66            67            68            69            70 
      1  -0.335382D+01  0.135272D+01  0.117904D+01 -0.266709D+01 -0.348638D+01
      2   0.491109D+01 -0.642423D+00 -0.100704D+01  0.195096D+01  0.211908D+01
      3  -0.149458D+01  0.188554D+01  0.546830D+00  0.219063D-02 -0.358816D+01
                71            72            73            74            75 
      1  -0.443769D+00  0.367330D+01 -0.138742D+01 -0.907251D+00 -0.194580D+01
      2   0.239515D+01 -0.470445D+01  0.122643D+01  0.838763D+00  0.296898D+01
      3   0.154898D+01  0.469589D+00 -0.114280D+01  0.774063D+00  0.677449D+00
                76            77            78            79            80 
      1  -0.652654D+00 -0.122554D+01 -0.379318D+01 -0.292002D+01 -0.363852D+01
      2   0.399609D+00  0.192968D+01  0.287276D+01  0.984202D+00  0.524157D+01
      3   0.276017D+01 -0.220605D+01 -0.176686D+01  0.258647D+01 -0.254127D+01
                81            82            83            84            85 
      1  -0.934221D+01  0.189097D+01  0.980696D+00  0.193385D+01  0.131448D+01
      2   0.919985D+01 -0.168156D-01 -0.570672D+00  0.739764D+00 -0.162001D+01
      3  -0.212233D+00 -0.651651D+00 -0.311173D+01 -0.150153D+01 -0.171475D+01
                86            87            88            89            90 
      1   0.325527D+01  0.296780D+01  0.255387D+01  0.435958D+01  0.153683D+02
      2  -0.712544D+00 -0.139498D-01 -0.374045D+01 -0.540948D+00  0.811470D+00
      3  -0.333267D+00 -0.277448D+00 -0.303666D+01 -0.880145D+00 -0.180477D+01
                91            92            93            94            95 
      1  -0.969545D+00  0.308236D+00  0.496364D+00 -0.328064D+00 -0.205185D+01
      2  -0.128451D-01  0.396194D+00  0.114404D+01  0.186544D+01 -0.161659D+01
      3   0.113182D+00  0.780567D+00  0.866856D+00  0.717673D+01  0.106833D+00
                96            97            98            99           100 
      1  -0.438164D+01  0.357720D+00 -0.846887D+00  0.156310D+01  0.307005D+01
      2  -0.329834D+00 -0.264410D+00 -0.622628D+00 -0.237217D+00  0.601196D+01
      3  -0.327799D+00  0.162021D+01 -0.494177D+00 -0.565947D+00 -0.773019D+01
               101           102           103           104           105 
      1  -0.113022D+01  0.233561D+01 -0.117165D+01  0.926682D+00 -0.202592D+01
      2  -0.193959D+01  0.525665D+01 -0.103585D+01  0.142323D+01 -0.190948D+01
      3  -0.415430D+01 -0.898757D+00  0.116206D+01 -0.222351D+00 -0.569576D+00
               106           107           108           109           110 
      1   0.198834D+01 -0.373041D+00  0.114564D+01  0.106885D+00  0.717017D+00
      2   0.223102D+01 -0.214867D+01  0.178187D+01 -0.779745D+00 -0.627865D+00
      3  -0.267628D+01 -0.191064D+01  0.188398D+00  0.124946D+01  0.956234D+00
               111           112           113           114           115 
      1  -0.834635D+00  0.325297D+00 -0.518588D+00 -0.295176D+01  0.744924D+00
      2   0.152502D-01 -0.782353D+00 -0.286186D+01 -0.320420D+01 -0.249084D+01
      3   0.650560D+00  0.285460D+01  0.188889D+01  0.241316D+01  0.201885D+01
               116           117           118           119           120 
      1   0.162490D+01 -0.787539D+01  0.878332D+01 -0.718538D-01 -0.261593D+01
      2  -0.403461D+01 -0.110693D+02 -0.280907D+01 -0.896719D+00  0.117338D+02
      3   0.422123D+01  0.313354D+01 -0.104911D+02  0.200458D+00 -0.684507D+01
               121           122           123           124           125 
      1  -0.277724D+01 -0.101751D+02 -0.688623D+01 -0.278493D+01 -0.166317D+01
      2  -0.809196D+00  0.857295D+00  0.377998D+01  0.682489D+01  0.471909D+01
      3   0.674295D+01  0.128824D+02  0.374450D+00 -0.598021D+01 -0.140459D+01
               126           127           128           129           130 
      1   0.358046D+01 -0.121041D+00 -0.204599D+01 -0.125276D+01 -0.129316D+01
      2  -0.216195D+01  0.576095D+00  0.274876D+00  0.329907D+01  0.144379D+01
      3  -0.183022D+01  0.952817D+00 -0.359765D+01 -0.126991D+01  0.580368D+00
               131           132           133           134           135 
      1  -0.663237D+00 -0.139949D+01  0.123279D+00  0.193435D+01  0.851050D+00
      2  -0.267130D+00  0.247165D+01 -0.179433D+01  0.176353D+01 -0.361090D+01
      3  -0.906922D+00  0.142854D+01 -0.282030D+01  0.265070D+01 -0.274531D+00
               136           137           138           139           140 
      1  -0.766066D+00  0.548570D+00  0.197372D+00  0.313312D+00 -0.953912D+01
      2  -0.755038D+00  0.850607D+00  0.133442D+01  0.212313D+01 -0.806069D+00
      3  -0.104891D+01 -0.971879D+00  0.782328D+00  0.532682D+01  0.201268D+01
               141           142           143           144           145 
      1  -0.288358D+01  0.488661D+00 -0.196126D+00 -0.325360D+00  0.124369D+01
      2  -0.304572D+00 -0.462401D+00 -0.230632D+00 -0.937188D-01  0.111218D+01
      3   0.287562D+00  0.825474D+00  0.812014D+00  0.213052D+00  0.832736D+00
               146           147           148           149           150 
      1   0.233542D+00  0.239048D+01 -0.464102D+00  0.136537D+01  0.364564D+01
      2  -0.517452D+00 -0.949184D+00 -0.182488D+01 -0.223612D-01 -0.382788D+00
      3  -0.172569D+01 -0.166869D+01 -0.742895D-01 -0.278337D+00 -0.962866D+00
               151           152           153           154           155 
      1   0.799779D+00  0.445799D+01  0.117867D+02 -0.410132D+01 -0.328971D+01
      2  -0.372170D+01  0.286753D+00  0.873638D-01  0.784694D+01  0.165693D+01
      3  -0.145586D+01 -0.498630D+00 -0.213915D+01 -0.218791D+01 -0.555994D+00
               156           157           158           159           160 
      1   0.409484D+01 -0.174483D+01 -0.241066D+01  0.142787D+01  0.347232D+01
      2  -0.568444D+01  0.211936D+01  0.221060D+01 -0.164012D+01 -0.795033D+01
      3   0.227311D+01  0.480840D+00 -0.648909D+00 -0.668183D+00  0.227308D+01
               161           162           163           164           165 
      1   0.428191D+01 -0.677570D+01 -0.527941D+01  0.265522D+01 -0.284949D+01
      2  -0.151397D+01  0.905634D+01 -0.305433D+01  0.991721D+00  0.380682D+01
      3  -0.527473D+00 -0.197123D+01  0.107181D+02 -0.632077D+01  0.381834D+01
               166           167           168           169           170 
      1   0.174475D+01 -0.102888D+01  0.817273D+00 -0.230280D+01  0.200944D+01
      2   0.787643D+00 -0.156363D+00 -0.182207D+01 -0.160681D+01 -0.642776D+00
      3  -0.315166D+01  0.203587D+01 -0.119713D+01  0.345018D+01 -0.125389D+01
               171           172           173           174           175 
      1  -0.259042D+01 -0.161819D+00  0.258137D+00  0.394332D+00  0.576932D+00
      2   0.217845D+01  0.687535D+00 -0.577552D+00 -0.573275D-01 -0.105441D+01
      3   0.289748D+01 -0.553095D+00 -0.151131D+00  0.697530D+00  0.291873D+01
               176           177           178           179           180 
      1   0.924324D+01 -0.443038D+01  0.582562D+00 -0.251966D-01  0.844584D+00
      2   0.126903D+01  0.245757D+01 -0.129107D+01  0.106165D+01  0.930706D-01
      3  -0.157953D+02 -0.106004D+01  0.325060D-02  0.410364D+00 -0.171725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216625D+02  0.119462D+02 -0.117672D+01  0.201403D+02 -0.694569D+01
      2   0.798550D+01 -0.307657D+01 -0.377086D+01 -0.144756D+02  0.674858D+00
      3   0.136770D+02 -0.886964D+01  0.494758D+01 -0.566477D+01  0.627083D+01
      4   0.235634D+02 -0.121107D+02 -0.756282D+01 -0.151067D+02  0.831564D+00
      5   0.912210D+01 -0.496320D+01 -0.340480D+01 -0.888033D+01  0.489558D+01
      6  -0.422981D+01  0.725431D+01  0.227543D+01  0.635113D+00 -0.422253D+01
                 6             7             8             9            10 
      1  -0.845678D+01  0.131589D+02 -0.868802D+01 -0.256255D+01 -0.319693D+00
      2   0.444786D+01 -0.611857D+01  0.116423D+01 -0.290492D+01 -0.253586D+01
      3   0.400891D+01 -0.704037D+01  0.752379D+01  0.546747D+01  0.285556D+01
      4   0.340616D+01 -0.119279D+02  0.114016D+02  0.949423D+01 -0.104068D+02
      5   0.787412D+01  0.221691D+01  0.485353D+01  0.123890D+02  0.101359D+02
      6  -0.738576D+01  0.358251D+01 -0.215451D+01  0.561132D+00  0.883695D+01
                11            12            13            14            15 
      1  -0.782337D+01  0.883238D+01 -0.682193D+01 -0.309026D+01  0.542704D+01
      2   0.466999D+01 -0.454976D+01  0.412679D+01  0.123169D+02 -0.331607D+01
      3   0.315337D+01 -0.428262D+01  0.269515D+01 -0.922662D+01 -0.211097D+01
      4  -0.907540D+01  0.800787D+01 -0.166217D+01 -0.110068D+01 -0.243274D+01
      5   0.579497D+01 -0.100395D+02  0.399178D+01 -0.155609D+01 -0.839300D+01
      6  -0.146404D+01 -0.718394D+01  0.151994D+01 -0.241782D+01 -0.514274D+01
                16            17            18            19            20 
      1   0.834651D+01  0.889250D+01 -0.161235D+00 -0.464423D+01 -0.165120D+01
      2  -0.396488D+01 -0.494079D+01 -0.153324D+01  0.680630D+01  0.303677D+01
      3  -0.438162D+01 -0.395171D+01  0.169447D+01 -0.216208D+01 -0.138558D+01
      4   0.965235D+01 -0.626384D+01 -0.180654D+02 -0.469412D+01  0.179654D+00
      5  -0.118170D+02 -0.120455D+02 -0.700324D+01  0.177098D+01 -0.166878D+01
      6  -0.959064D+01 -0.135453D+02 -0.128366D+02 -0.679384D+01 -0.180838D-01
                21            22            23            24            25 
      1   0.211561D+01 -0.155149D+01  0.253134D+02  0.100736D+00  0.278847D+01
      2  -0.770316D-02  0.455591D+01 -0.466298D+02  0.498640D+01  0.565044D+00
      3  -0.210791D+01 -0.300442D+01  0.213164D+02 -0.508714D+01 -0.335351D+01
      4  -0.396543D+01  0.508712D+01  0.101900D+02 -0.127263D+01 -0.425866D+01
      5  -0.100815D+01 -0.169770D+00 -0.797447D+00 -0.695425D+00  0.927479D+00
      6   0.483277D+01 -0.184110D+01  0.794417D+01  0.702240D+01  0.383310D+01
                26            27            28            29            30 
      1   0.251704D+00  0.447500D+01 -0.221688D+02  0.134627D+02 -0.912154D+01
      2  -0.226000D+00  0.113283D+02  0.489665D+01 -0.737308D+01  0.599301D+01
      3  -0.257043D-01 -0.158033D+02  0.172721D+02 -0.608959D+01  0.312853D+01
      4   0.124012D+01  0.264073D+01  0.200037D+02 -0.663080D+01  0.546220D+01
      5  -0.436155D+00 -0.452521D+01 -0.911272D+01  0.571126D+00  0.356437D+01
      6   0.712676D+01  0.165461D+02  0.310252D+01  0.536069D+00 -0.254193D+01
                31            32            33            34            35 
      1   0.949259D+01 -0.273667D+01  0.546647D+01 -0.110623D+02  0.624291D+01
      2  -0.508249D+01  0.850877D+01  0.132461D+01  0.560963D+01  0.347552D+01
      3  -0.441010D+01 -0.577209D+01 -0.679109D+01  0.545270D+01 -0.971843D+01
      4  -0.790699D+01 -0.629766D+01  0.812804D+00  0.891869D+01  0.308261D+01
      5   0.137947D+00 -0.220232D+01  0.615082D+01  0.118218D+01  0.868633D+01
      6  -0.717908D+00 -0.239767D+01 -0.881719D+01  0.732671D+00 -0.911527D+01
                36            37            38            39            40 
      1   0.104645D+02  0.774965D+00 -0.793674D+01  0.133130D+02 -0.539302D+01
      2   0.183449D+00  0.174611D+01  0.485090D+01 -0.922104D+01  0.394452D+01
      3  -0.106480D+02 -0.252107D+01  0.308584D+01 -0.409191D+01  0.144850D+01
      4   0.968951D+01 -0.659257D+01 -0.524963D+01  0.600832D+01 -0.684245D+01
      5   0.120503D+02  0.171534D+02  0.547942D+01 -0.135297D+02  0.237043D+01
      6  -0.195704D+02  0.856005D+01  0.200860D+00 -0.557211D+01  0.291457D+01
                41            42            43            44            45 
      1  -0.498775D+01 -0.888037D+00  0.105263D+02  0.207309D+01 -0.989059D+01
      2   0.705971D+01 -0.719667D+00 -0.829245D+01 -0.550257D+01  0.306344D+01
      3  -0.207196D+01  0.160770D+01 -0.223388D+01  0.342949D+01  0.682715D+01
      4   0.524602D+01  0.171962D+01  0.413139D+01 -0.242169D+01 -0.150801D+02
      5   0.391231D+01 -0.960524D+01 -0.147043D+02 -0.123709D+02  0.433899D+01
      6   0.134245D+00 -0.624166D+01 -0.846424D+01 -0.532688D+01  0.214514D+01
                46            47            48            49            50 
      1   0.133732D+01 -0.510922D+01  0.273720D+01 -0.211880D+01  0.136022D+02
      2  -0.151459D+01  0.678244D+01  0.349764D+01  0.366074D+01 -0.246689D+02
      3   0.177267D+00 -0.167322D+01 -0.623483D+01 -0.154194D+01  0.110666D+02
      4  -0.562798D+01  0.114322D+01 -0.779636D+00  0.309953D+01  0.830383D+01
      5  -0.401989D+01 -0.890164D+00  0.328307D+01 -0.812785D+00 -0.257563D+01
      6  -0.537709D+01 -0.415599D+01  0.268430D+01 -0.251876D+01  0.927074D+01
                51            52            53            54            55 
      1   0.569420D+01 -0.338246D+01  0.441499D+01  0.151911D+02  0.590283D+02
      2   0.699245D+01  0.213446D+01  0.196580D+01  0.125048D+02 -0.271360D+02
      3  -0.126867D+02  0.124800D+01 -0.638079D+01 -0.276958D+02 -0.318923D+02
      4  -0.562115D+00 -0.324305D+00 -0.544366D+00 -0.409770D+00 -0.345882D+02
      5   0.662680D+00  0.352502D+01 -0.607316D+00 -0.649444D+01 -0.135851D+02
      6   0.474606D+01  0.536948D+00  0.500166D+01  0.261808D+01  0.536684D+01
                56            57            58            59            60 
      1  -0.161919D+02 -0.875542D+01 -0.187705D+02  0.793267D+01  0.252127D+01
      2   0.360471D+01  0.705760D+01  0.559751D+01  0.558542D+01 -0.561509D+00
      3   0.125872D+02  0.169781D+01  0.131730D+02 -0.135181D+02 -0.195976D+01
      4   0.266303D+02  0.710651D+01  0.297477D+02 -0.243372D+02 -0.796599D+01
      5   0.501981D+01  0.154605D+02  0.791863D+01 -0.655052D+01 -0.962162D+01
      6  -0.344245D+01 -0.587773D+01 -0.427310D+01  0.787593D+01  0.107533D+02
                61            62            63            64            65 
      1  -0.114312D+02  0.332233D+01  0.531309D+01  0.206116D+02  0.535612D+01
      2   0.904338D+01  0.419926D-01 -0.839840D+01 -0.863973D+01  0.712902D+00
      3   0.238783D+01 -0.336432D+01  0.308531D+01 -0.119719D+02 -0.606902D+01
      4   0.118676D+02 -0.958194D+01 -0.126642D+02  0.225496D+02  0.153819D+02
      5   0.200394D+02 -0.111067D+02 -0.184843D+02 -0.130957D+02 -0.541757D+01
      6  -0.814870D+01  0.120383D+02  0.732237D+01 -0.722208D+01 -0.396559D+01
                66            67            68            69            70 
      1  -0.669798D+01  0.127501D+01 -0.156266D+00  0.739075D+00 -0.822557D+01
      2   0.399432D+01  0.374237D+01  0.465944D+01 -0.263915D+01  0.506607D+01
      3   0.270367D+01 -0.501738D+01 -0.450317D+01  0.190007D+01  0.315950D+01
      4  -0.903105D+01  0.119160D+02  0.104920D+02 -0.502364D+01 -0.131019D+02
      5   0.107508D+02 -0.280795D+01 -0.434315D+01  0.358115D+01  0.125574D+02
      6   0.625559D+01 -0.363862D+01 -0.485709D+01  0.604063D+01  0.766475D+01
                71            72            73            74            75 
      1  -0.871969D+00  0.155146D+01  0.137429D+01  0.320123D+01  0.188510D+01
      2  -0.178780D+01 -0.358022D+01  0.145341D-01 -0.999459D+00 -0.188607D+01
      3   0.265977D+01  0.202876D+01 -0.138883D+01 -0.220177D+01  0.966283D-03
      4  -0.900378D+01  0.106049D+02  0.717418D+01  0.757464D+01  0.506223D+01
      5   0.730046D+01 -0.116045D+02  0.509515D+01  0.274731D+01  0.720155D+01
      6   0.769312D+01 -0.786050D+01  0.402861D+01  0.269644D+01  0.357382D+01
                76            77            78            79            80 
      1   0.152474D+01 -0.606072D+01 -0.430934D+01  0.310362D+01 -0.679642D+01
      2   0.617926D+00  0.792792D+01  0.458751D+01 -0.257286D+01  0.646394D+01
      3  -0.214266D+01 -0.186720D+01 -0.278174D+00 -0.530761D+00  0.332487D+00
      4   0.693576D+01  0.884131D+01  0.702706D+01  0.828892D+01  0.131310D+02
      5   0.197106D+01  0.569971D+01  0.558508D+01  0.961118D+01  0.967768D+01
      6   0.331984D+01  0.957862D+01  0.110048D+02  0.726246D+01  0.149605D+02
                81            82            83            84            85 
      1  -0.686934D+01  0.159941D+01  0.486734D+00 -0.214173D+00  0.119348D+00
      2  -0.172060D+01 -0.466414D+01 -0.112511D+01 -0.101177D+01 -0.145702D+01
      3   0.858994D+01  0.306473D+01  0.638378D+00  0.122594D+01  0.133767D+01
      4   0.135393D+02 -0.732737D+00  0.202645D+01 -0.181988D+01 -0.340492D+00
      5   0.177750D+02  0.226557D+01  0.446533D+00  0.724615D+01  0.705812D+00
      6   0.212061D+02 -0.153423D+01  0.122388D+01 -0.267641D+01  0.654459D+00
                86            87            88            89            90 
      1  -0.287695D+01 -0.469268D-02 -0.117785D+01  0.334954D+01 -0.159580D+02
      2   0.273273D+01 -0.476040D+01 -0.239232D+01 -0.458788D+01 -0.136988D+02
      3   0.144220D+00  0.476510D+01  0.357017D+01  0.123834D+01  0.296569D+02
      4  -0.523961D+00  0.103859D+01 -0.367163D+01  0.192449D+01 -0.175165D+01
      5   0.108012D+01  0.902066D+00  0.549133D+01  0.278002D-01  0.719132D+01
      6  -0.197263D+01  0.118328D+00 -0.286144D+01  0.615071D+01 -0.219034D+02
                91            92            93            94            95 
      1  -0.194889D+01  0.114902D+01 -0.362548D+00  0.232485D+01 -0.407792D+02
      2   0.640189D+01 -0.353579D+01  0.983222D-01 -0.479841D+01  0.726658D+02
      3  -0.445300D+01  0.238677D+01  0.264226D+00  0.247356D+01 -0.318866D+02
      4  -0.198233D+01  0.107583D+02 -0.544726D+00  0.956140D+01 -0.110145D+02
      5   0.658508D-01 -0.162069D+01  0.182826D+01 -0.141363D+01  0.214760D+01
      6  -0.190759D+00  0.499404D+00 -0.886135D+00  0.105498D+01 -0.131796D+02
                96            97            98            99           100 
      1   0.453811D+01 -0.205710D+00  0.424216D+00 -0.518752D+01  0.437991D+02
      2  -0.589351D+01 -0.380495D+00  0.889975D+00  0.487009D+01 -0.181929D+02
      3   0.135540D+01  0.586205D+00 -0.131419D+01  0.317431D+00 -0.256061D+02
      4   0.990280D+00  0.678949D+00 -0.781886D-01 -0.130160D+01 -0.302256D+02
      5  -0.878801D+00  0.109225D+01 -0.728431D+00  0.602409D+00  0.296221D+01
      6   0.906625D+01 -0.133785D+01  0.928207D+01 -0.279615D+01 -0.635220D+00
               101           102           103           104           105 
      1  -0.984962D+01  0.497832D+01 -0.612186D+01  0.472374D+01 -0.810158D+00
      2   0.356136D+00 -0.196015D+01 -0.157491D+01  0.187537D+01 -0.980672D+00
      3   0.949348D+01 -0.301817D+01  0.769677D+01 -0.659911D+01  0.179083D+01
      4   0.171571D+02 -0.320913D+01  0.155202D+02 -0.100025D+02  0.205525D+01
      5  -0.383131D+00  0.718595D+01 -0.463603D+00  0.151654D+01 -0.234931D+01
      6  -0.228061D+00 -0.293371D+01  0.153480D+00 -0.784215D+00  0.335733D+01
               106           107           108           109           110 
      1   0.896554D+01 -0.238450D+01  0.309516D+01  0.150201D+01 -0.374774D+01
      2  -0.382633D+01 -0.132119D+01 -0.235158D+01 -0.136565D+01  0.233471D+01
      3  -0.513920D+01  0.370569D+01 -0.743578D+00 -0.136359D+00  0.141302D+01
      4  -0.812933D+01  0.465746D+01 -0.512753D+01 -0.312590D+01  0.274641D+01
      5   0.797670D+01 -0.359926D+01  0.320886D+01 -0.150386D+01  0.157097D+01
      6  -0.325476D+01  0.352434D+01 -0.552922D+00  0.249371D+01  0.661339D+00
               111           112           113           114           115 
      1  -0.239165D+01 -0.203450D+01 -0.692765D+01 -0.620348D+01 -0.189003D+01
      2   0.111672D+01  0.101930D+01  0.541631D+01  0.332654D+01  0.222581D+01
      3   0.127493D+01  0.101520D+01  0.151133D+01  0.287694D+01 -0.335776D+00
      4   0.209871D+01  0.452452D+01 -0.433576D+01 -0.551980D+01  0.437383D+01
      5   0.404516D+01  0.225022D+01 -0.447130D+01 -0.520416D+01  0.724206D+01
      6   0.201625D+01 -0.146843D+01  0.102958D+02  0.135688D+02 -0.326415D+01
               116           117           118           119           120 
      1  -0.784750D+01 -0.150578D+02 -0.214019D+02  0.784561D+01 -0.218039D+02
      2   0.256981D+01 -0.817814D+01  0.219741D+02 -0.414758D+01  0.631853D+01
      3   0.527770D+01  0.232359D+02 -0.572111D+00 -0.369803D+01  0.154854D+02
      4  -0.822855D+01 -0.979817D+01  0.101724D+01  0.518601D+01 -0.488525D+01
      5  -0.810435D+01 -0.193067D+02 -0.198986D+02  0.404140D+01 -0.350564D+01
      6   0.143077D+02  0.251085D+02 -0.251099D+01  0.883361D-01  0.518441D+01
               121           122           123           124           125 
      1   0.128887D+02  0.131706D+02  0.802788D+00 -0.196886D+02 -0.223240D+01
      2  -0.978524D+01 -0.311710D+02 -0.575333D+01  0.703605D+01 -0.112923D+01
      3  -0.310345D+01  0.180004D+02  0.495054D+01  0.126525D+02  0.336163D+01
      4   0.387346D+01 -0.209621D+02  0.141693D+01 -0.454632D+01  0.408912D+01
      5   0.697733D+01  0.121576D+01  0.652482D+01 -0.155377D+01  0.805045D+01
      6   0.211799D+00 -0.739994D+01  0.698511D+01  0.652831D+01  0.670770D+01
               126           127           128           129           130 
      1   0.298739D+01  0.199035D+02  0.540389D+01 -0.976825D+01  0.437430D+01
      2   0.389306D+01 -0.140128D+02 -0.308646D+01  0.934858D+01 -0.123784D+01
      3  -0.688045D+01 -0.589063D+01 -0.231743D+01  0.419670D+00 -0.313646D+01
      4   0.127594D+02  0.139631D+02  0.100778D+02 -0.736326D+01  0.108516D+02
      5   0.464671D+01 -0.207236D+02 -0.612387D+01  0.180802D+02 -0.591977D+01
      6   0.417248D+01 -0.727868D+01 -0.410213D+01  0.692813D+01 -0.497220D+01
               131           132           133           134           135 
      1   0.180957D+01 -0.747625D+00 -0.834360D+01 -0.948153D+00  0.380390D+01
      2   0.390031D+00  0.321581D+00  0.987167D+01  0.225657D+01 -0.116688D+02
      3  -0.219960D+01  0.426044D+00 -0.152808D+01 -0.130842D+01  0.786491D+01
      4   0.774242D+01 -0.639072D+01 -0.818582D+01 -0.613652D+01  0.893860D+01
      5  -0.706383D+01  0.703434D+01  0.190428D+02  0.790678D+01 -0.211731D+02
      6  -0.583603D+01  0.804867D+01  0.702866D+01  0.705258D+01 -0.998501D+01
               136           137           138           139           140 
      1  -0.211771D+00  0.173178D+01 -0.873006D+00  0.101663D+01 -0.249496D+02
      2   0.395504D+01 -0.383612D+01  0.356971D+00 -0.244508D+01  0.403910D+02
      3  -0.374327D+01  0.210434D+01  0.516035D+00  0.142845D+01 -0.154414D+02
      4  -0.221938D+01  0.920307D+01 -0.122827D+01  0.726755D+01 -0.692172D+01
      5   0.792623D+00 -0.310212D+01  0.205825D+01 -0.256577D+01  0.283483D+01
      6  -0.167529D+01  0.218818D+01 -0.115948D+01  0.252359D+01 -0.178689D+02
               141           142           143           144           145 
      1   0.533199D+01 -0.371685D+00  0.345844D+00 -0.467821D+01 -0.156064D+00
      2  -0.441112D+01 -0.424800D+00  0.194558D+01  0.195929D+01 -0.438690D+01
      3  -0.920879D+00  0.796485D+00 -0.229143D+01  0.271892D+01  0.454296D+01
      4   0.163964D+01  0.152441D+00 -0.100364D+01 -0.659560D+00  0.933803D+00
      5  -0.127489D+01  0.928884D+00 -0.420067D+00  0.694830D+00  0.270270D+01
      6   0.965326D+01 -0.758833D+00  0.663126D+01 -0.269240D+01 -0.321785D+00
               146           147           148           149           150 
      1   0.848224D+00 -0.183075D+01  0.141217D+01 -0.381288D+01 -0.436103D+01
      2  -0.384332D+00 -0.256000D+01 -0.795200D+00  0.827030D-01 -0.565181D+01
      3  -0.463892D+00  0.439075D+01 -0.616966D+00  0.373018D+01  0.100128D+02
      4   0.129878D+01 -0.168274D+01 -0.356723D+00  0.545614D-01  0.703070D+00
      5   0.442742D+00  0.847552D+01  0.167255D+01  0.923872D+00  0.194946D+01
      6   0.123679D+01 -0.183512D+01  0.742142D+00  0.208620D+00  0.356877D+01
               151           152           153           154           155 
      1   0.202941D+00  0.633425D+00 -0.259119D+02 -0.347092D+01 -0.388868D+00
      2  -0.236063D+01 -0.297649D+01 -0.207845D+02 -0.330997D+01 -0.143942D+01
      3   0.215768D+01  0.234306D+01  0.466964D+02  0.678089D+01  0.182829D+01
      4  -0.243627D+01  0.854063D+00 -0.139522D+01 -0.601386D+01 -0.258476D+01
      5   0.652541D+01  0.179828D+00  0.841090D+01 -0.240396D+01 -0.153894D+01
      6  -0.102333D+01  0.602609D+01 -0.117041D+02  0.144745D+01 -0.340780D+01
               156           157           158           159           160 
      1   0.105604D+02 -0.268859D+01 -0.422888D+01  0.844529D+00  0.957570D+01
      2   0.203121D+01  0.115251D+01  0.372272D+01  0.300014D+01  0.591336D+00
      3  -0.125916D+02  0.153608D+01  0.506159D+00 -0.384467D+01 -0.101670D+02
      4   0.318634D+01 -0.128051D+01  0.268561D+00  0.880831D+00  0.521080D+01
      5   0.262209D+00 -0.195044D+01 -0.383012D+00 -0.206203D+01  0.433523D+01
      6  -0.580476D+01 -0.147430D+01  0.313487D+00  0.111267D+01 -0.208099D+01
               161           162           163           164           165 
      1   0.311564D+00 -0.143550D+02  0.458025D+02 -0.390310D+01  0.129066D+02
      2   0.251515D+01 -0.863632D+01 -0.301031D+02  0.476301D+01 -0.122075D+02
      3  -0.282671D+01  0.229913D+02 -0.156993D+02 -0.859913D+00 -0.699082D+00
      4   0.254792D+01 -0.440735D+01  0.113798D+02  0.818009D+01  0.477985D+01
      5   0.122799D+00  0.394401D+01  0.274164D+02 -0.858727D+00  0.179454D+02
      6   0.388656D+01  0.775744D+01  0.276936D+01  0.412168D+01  0.315061D+01
               166           167           168           169           170 
      1  -0.103541D+02  0.350624D+01 -0.268867D+01  0.100711D+02 -0.143346D+00
      2   0.800673D+01 -0.221243D+00  0.387816D+01 -0.981135D+01  0.126931D+01
      3   0.234733D+01 -0.328500D+01 -0.118949D+01 -0.259726D+00 -0.112596D+01
      4   0.421896D+01 -0.288881D+00  0.141153D+01  0.373994D+01  0.160223D+01
      5  -0.621601D+01  0.294923D+01 -0.508354D+01  0.152641D+02 -0.149494D+01
      6   0.215840D+01 -0.504348D+00  0.588459D+00  0.196686D+01  0.181559D+01
               171           172           173           174           175 
      1   0.577083D+01  0.223032D+01  0.325135D+01  0.248434D+01  0.224554D+01
      2  -0.953927D+01  0.109250D+01 -0.114820D+01 -0.104650D+01  0.330851D+01
      3   0.376844D+01 -0.332282D+01 -0.210315D+01 -0.143784D+01 -0.555405D+01
      4   0.108018D+01  0.418544D+01  0.728920D+01  0.769232D+00  0.123762D+02
      5   0.113561D+02  0.247319D+01  0.861994D+00  0.163715D+01  0.320430D+01
      6   0.202367D+01  0.116428D+01  0.768503D-01 -0.430000D+00  0.262880D+01
               176           177           178           179           180 
      1  -0.219604D+02 -0.326913D+01  0.631416D+00 -0.622515D+00 -0.371149D+01
      2   0.475902D+02  0.236740D+01 -0.407239D+00 -0.235864D+01  0.350129D+01
      3  -0.256298D+02  0.901730D+00 -0.224177D+00  0.298115D+01  0.210200D+00
      4   0.323755D+02  0.367856D+01 -0.432817D+00 -0.126804D+01  0.191378D+01
      5   0.276774D+01  0.490348D+01  0.160078D+01  0.266879D+01 -0.404266D+00
      6   0.162283D+02  0.948931D+01  0.209465D+00  0.711876D+01  0.849676D+00
 Leave Link  716 at Fri Jul 16 20:05:17 2021, MaxMem=  5637144576 cpu:               3.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.914839D+02 -0.143919D+01 -0.238729D+01
      2  -0.143919D+01  0.891817D+02  0.409072D+00
      3  -0.238729D+01  0.409072D+00  0.775367D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.896628D+00  0.349415D+01 -0.339013D+01
      2  -0.124077D+02 -0.240560D-01 -0.170562D+02
      3   0.110734D+02  0.118693D+02  0.123379D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.279529D+02 -0.195862D+02 -0.258142D+02
      2   0.163446D+02  0.211893D+02  0.157862D+01
      3   0.116083D+02 -0.160315D+01  0.242355D+02
      4  -0.283817D+01 -0.229613D+02 -0.178927D+01
      5  -0.229946D+02 -0.180500D+01 -0.355426D+02
      6   0.494232D+00 -0.317959D+01  0.811791D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.351472D+01  0.445572D+01  0.932296D+00  0.446308D+01 -0.143943D+01
      2   0.445572D+01 -0.207910D+00 -0.226176D+01 -0.143943D+01 -0.263347D+01
      3   0.932296D+00 -0.226176D+01  0.633635D+00 -0.213984D+01  0.155943D+01
                 6             7             8             9            10 
      1  -0.213984D+01  0.139181D+01 -0.255048D+01 -0.149903D+00 -0.969336D-01
      2   0.155943D+01 -0.255048D+01  0.102766D+01  0.187331D+01 -0.376947D+01
      3   0.166886D+01 -0.149903D+00  0.187331D+01  0.106385D+01  0.245823D+01
                11            12            13            14            15 
      1  -0.376947D+01  0.245823D+01 -0.347990D+01  0.434265D+00  0.730391D+00
      2  -0.532901D+00  0.653582D+00  0.434265D+00  0.248009D+01 -0.140283D+01
      3   0.653582D+00 -0.271699D+01  0.730391D+00 -0.140283D+01 -0.237436D+01
                16            17            18            19            20 
      1   0.384830D+01  0.559710D+00 -0.315617D+01 -0.282189D+01  0.301831D+01
      2   0.559710D+00 -0.161702D+01 -0.338152D+01  0.301831D+01 -0.328927D+00
      3  -0.315617D+01 -0.338152D+01 -0.315714D+01 -0.159027D+01 -0.142651D+00
                21            22            23            24            25 
      1  -0.159027D+01  0.205182D+01  0.817592D+00 -0.109179D+00 -0.189544D+01
      2  -0.142651D+00  0.817592D+00 -0.771470D+01  0.532312D+00  0.591031D-01
      3   0.163950D+01 -0.109179D+00  0.532312D+00  0.190086D+01  0.168354D+01
                26            27            28            29            30 
      1   0.591031D-01  0.168354D+01  0.593630D+01 -0.340104D+01  0.272869D+01
      2  -0.419653D+00  0.189890D+01 -0.340104D+01  0.181434D+00 -0.123882D+00
      3   0.189890D+01  0.590515D+01  0.272869D+01 -0.123882D+00 -0.809014D+00
                31            32            33            34            35 
      1  -0.324575D+01 -0.151862D+00 -0.146277D-02  0.376619D+01 -0.301162D+00
      2  -0.151862D+00  0.391929D+01 -0.355651D+00 -0.301162D+00 -0.813729D+00
      3  -0.146277D-02 -0.355651D+00 -0.266284D+01 -0.504236D+00 -0.353442D+01
                36            37            38            39            40 
      1  -0.504236D+00 -0.368690D+01  0.286652D+01 -0.352568D+01  0.387244D+01
      2  -0.353442D+01  0.286652D+01  0.976923D+00  0.692742D-02  0.801645D+00
      3  -0.572061D+01 -0.352568D+01  0.692742D-02  0.263352D+01 -0.185895D+00
                41            42            43            44            45 
      1   0.801645D+00 -0.185895D+00 -0.447065D+01 -0.154300D+00  0.331077D+01
      2  -0.453287D+01 -0.536291D-01 -0.154300D+00  0.309778D+00  0.356234D+01
      3  -0.536291D-01  0.313529D+01  0.331077D+01  0.356234D+01  0.107279D+01
                46            47            48            49            50 
      1   0.399879D+01 -0.265860D+01  0.148251D+01 -0.185974D+01 -0.170025D+01
      2  -0.265860D+01 -0.181066D+01  0.620116D+00 -0.170025D+01  0.729434D+01
      3   0.148251D+01  0.620116D+00 -0.132237D+01  0.331942D+00 -0.325008D+00
                51            52            53            54            55 
      1   0.331942D+00  0.101910D+01  0.161305D+00 -0.723964D+00  0.109798D+02
      2  -0.325008D+00  0.161305D+00  0.624634D+00 -0.224990D+01 -0.469097D+01
      3  -0.277182D+01 -0.723964D+00 -0.224990D+01 -0.536141D+01 -0.266866D+01
                56            57            58            59            60 
      1  -0.469097D+01 -0.266866D+01 -0.488846D+01  0.424960D+01  0.159462D+01
      2   0.293527D+01  0.123477D+01  0.424960D+01 -0.421543D+01 -0.193853D+01
      3   0.123477D+01  0.137870D+01  0.159462D+01 -0.193853D+01 -0.162710D+01
                61            62            63            64            65 
      1  -0.343387D+01  0.196187D+01  0.332821D+01  0.563877D+01  0.242891D+01
      2   0.196187D+01 -0.180143D+01 -0.260684D+01  0.242891D+01  0.215075D+01
      3   0.332821D+01 -0.260684D+01 -0.329870D+01 -0.230696D+01 -0.962203D+00
                66            67            68            69            70 
      1  -0.230696D+01  0.172654D+01  0.160153D+01 -0.505316D+00 -0.344073D+01
      2  -0.962203D+00  0.160153D+01  0.151798D+01 -0.879614D+00 -0.129957D+01
      3   0.187313D+01 -0.505316D+00 -0.879614D+00  0.969093D+00  0.236096D+01
                71            72            73            74            75 
      1  -0.129957D+01  0.236096D+01  0.834670D+00  0.155904D+01  0.968982D+00
      2  -0.161716D+01  0.169809D+01  0.155904D+01  0.602567D+00  0.493477D+00
      3   0.169809D+01 -0.244070D+01  0.968982D+00  0.493477D+00  0.983784D+00
                76            77            78            79            80 
      1   0.143366D+01  0.707793D+00  0.512737D+00  0.183234D+01  0.824412D+00
      2   0.707793D+00  0.227374D+01  0.185406D+01  0.824412D+00  0.336067D+01
      3   0.512737D+00  0.185406D+01  0.195409D+01  0.193337D+01  0.269382D+01
                81            82            83            84            85 
      1   0.193337D+01 -0.307007D+00 -0.468910D+00 -0.864558D+00 -0.857054D+00
      2   0.269382D+01 -0.468910D+00 -0.220592D+00  0.734618D-01 -0.470703D+00
      3   0.551344D+01 -0.864558D+00  0.734618D-01 -0.806046D+00 -0.190934D+00
                86            87            88            89            90 
      1  -0.470703D+00 -0.190934D+00 -0.158574D+01 -0.128498D+00 -0.114239D+01
      2   0.919627D-01 -0.101358D+01 -0.128498D+00 -0.139609D+01  0.295491D+00
      3  -0.101358D+01 -0.113561D+01 -0.114239D+01  0.295491D+00 -0.766026D+01
                91            92            93            94            95 
      1  -0.120318D+00  0.122417D+01  0.154001D+00  0.155751D+01 -0.939563D+00
      2   0.122417D+01 -0.685152D+00  0.492359D-01 -0.939563D+00  0.118601D+02
      3   0.154001D+00  0.492359D-01 -0.334667D+00  0.954332D-01 -0.119050D+01
                96            97            98            99           100 
      1   0.954332D-01  0.411037D+00 -0.208563D-01 -0.365830D+00 -0.917011D+01
      2  -0.119050D+01 -0.208563D-01  0.782464D-01  0.113521D+01  0.277557D+01
      3   0.101164D+01 -0.365830D+00  0.113521D+01 -0.778563D+00 -0.110130D+01
               101           102           103           104           105 
      1   0.277557D+01 -0.110130D+01  0.210221D+01 -0.191039D+01  0.135651D+00
      2  -0.231110D+01  0.240815D+00 -0.191039D+01  0.116133D+01 -0.346260D+00
      3   0.240815D+00 -0.111939D+01  0.135651D+00 -0.346260D+00  0.682648D+00
               106           107           108           109           110 
      1  -0.238818D+01  0.681799D+00 -0.130690D+01 -0.439006D+00  0.918409D+00
      2   0.681799D+00 -0.916626D+00  0.953733D+00  0.918409D+00  0.277507D+00
      3  -0.130690D+01  0.953733D+00 -0.326449D+00  0.736471D+00  0.582444D-01
               111           112           113           114           115 
      1   0.736471D+00  0.939907D+00 -0.138747D+00 -0.330694D+00  0.120517D+01
      2   0.582444D-01 -0.138747D+00  0.164136D+01  0.193829D+01 -0.280018D+00
      3   0.414251D+00 -0.330694D+00  0.193829D+01  0.227585D+01 -0.834121D+00
               116           117           118           119           120 
      1  -0.280018D+00 -0.834121D+00  0.449712D+01 -0.200778D+01  0.373470D+01
      2   0.283104D+01  0.291462D+01 -0.200778D+01 -0.393048D+00 -0.400104D+00
      3   0.291462D+01  0.751301D+01  0.373470D+01 -0.400104D+00 -0.147057D+01
               121           122           123           124           125 
      1  -0.271491D+01  0.323285D+00 -0.794539D+00  0.341738D+01 -0.413447D+00
      2   0.323285D+00  0.708738D+01 -0.224236D+00 -0.413447D+00 -0.117350D+01
      3  -0.794539D+00 -0.224236D+00 -0.233180D+01 -0.217973D+01 -0.262312D+01
               126           127           128           129           130 
      1  -0.217973D+01 -0.493812D+01 -0.189542D+01  0.299042D+01 -0.193603D+01
      2  -0.262312D+01 -0.189542D+01 -0.166501D+01  0.749856D+00 -0.169933D+01
      3  -0.165100D+00  0.299042D+01  0.749856D+00 -0.290481D+01  0.778162D+00
               131           132           133           134           135 
      1  -0.169933D+01  0.778162D+00  0.343411D+01  0.923526D+00 -0.303643D+01
      2  -0.112763D+01  0.125773D+01  0.923526D+00  0.142916D+01 -0.172273D+01
      3   0.125773D+01 -0.164419D+01 -0.303643D+01 -0.172273D+01  0.407673D+01
               136           137           138           139           140 
      1   0.237446D+00 -0.110073D+01 -0.108023D+00 -0.156724D+01  0.955244D+00
      2  -0.110073D+01  0.117236D+01 -0.322215D+00  0.955244D+00 -0.924932D+01
      3  -0.108023D+00 -0.322215D+00  0.285782D+00 -0.349734D+00  0.144821D+01
               141           142           143           144           145 
      1  -0.349734D+00 -0.370391D+00 -0.209266D-01  0.230264D+00 -0.340584D+00
      2   0.144821D+01 -0.209266D-01 -0.254845D+00 -0.941459D+00  0.504384D+00
      3  -0.135380D+01  0.230264D+00 -0.941459D+00  0.871025D+00  0.107410D+01
               146           147           148           149           150 
      1   0.504384D+00  0.107410D+01  0.123748D+01  0.343786D+00  0.277253D-01
      2   0.246834D+00 -0.159018D+00  0.343786D+00 -0.779456D-02  0.111982D+01
      3  -0.159018D+00  0.104955D+01  0.277253D-01  0.111982D+01  0.178991D+01
               151           152           153           154           155 
      1   0.155484D+01  0.881313D-01  0.819386D+00  0.212232D+01  0.785181D+00
      2   0.881313D-01  0.133186D+01  0.280278D+00  0.785181D+00  0.123586D+01
      3   0.819386D+00  0.280278D+00  0.916635D+01 -0.149321D+01  0.164047D+00
               156           157           158           159           160 
      1  -0.149321D+01  0.871669D+00  0.615255D+00 -0.305305D-01 -0.196476D+01
      2   0.164047D+00  0.615255D+00 -0.389655D-03 -0.517619D+00 -0.284256D+00
      3   0.268880D+01 -0.305305D-01 -0.517619D+00  0.905493D+00  0.135844D+01
               161           162           163           164           165 
      1  -0.284256D+00  0.135844D+01 -0.805041D+01  0.322299D+00 -0.316633D+01
      2  -0.108096D+01  0.215657D+00  0.322299D+00 -0.149909D+01 -0.454976D-01
      3   0.215657D+00 -0.452254D+01 -0.316633D+01 -0.454976D-01 -0.229848D+01
               166           167           168           169           170 
      1   0.178140D+01 -0.989509D+00  0.773943D+00 -0.222978D+01  0.135547D+00
      2  -0.989509D+00 -0.392031D-02 -0.361721D+00  0.135547D+00 -0.261890D+00
      3   0.773943D+00 -0.361721D+00  0.102233D+01 -0.172867D+01  0.290751D+00
               171           172           173           174           175 
      1  -0.172867D+01 -0.759207D+00 -0.865590D+00 -0.435420D+00 -0.148863D+01
      2   0.290751D+00 -0.865590D+00 -0.125119D+00  0.727947D-01 -0.141022D+01
      3  -0.172573D+01 -0.435420D+00  0.727947D-01  0.201699D+00 -0.342487D+00
               176           177           178           179           180 
      1  -0.141022D+01 -0.342487D+00 -0.100736D+00  0.580993D-01  0.103402D+00
      2  -0.984201D+01 -0.110069D+01  0.580993D-01  0.359834D+00 -0.752229D+00
      3  -0.110069D+01 -0.141456D+01  0.103402D+00 -0.752229D+00 -0.251412D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.764332D+01  0.100359D+02 -0.260508D+01  0.832957D+01 -0.144655D+01
      2  -0.882140D+01 -0.947830D+01 -0.105058D+01 -0.794248D+01  0.143533D+01
      3  -0.478351D+01 -0.761451D+01  0.284821D+01  0.858837D+00 -0.135650D+01
                 6             7             8             9            10 
      1   0.696285D+01 -0.122850D+01  0.143986D+02 -0.435655D+01 -0.661791D+01
      2  -0.457890D+00 -0.114004D+02 -0.217592D+01  0.116868D+02  0.838339D+01
      3  -0.724799D+01  0.891678D+00 -0.108310D+02  0.216605D+01  0.119244D+02
                11            12            13            14            15 
      1  -0.516221D+00  0.290715D+01 -0.298700D+01  0.171569D+01 -0.157266D+01
      2   0.167025D+01 -0.277520D+01  0.242800D+01 -0.228533D+01 -0.241851D+01
      3  -0.728957D+01  0.253138D+01  0.765515D-01 -0.417740D+01  0.442989D+01
                16            17            18            19            20 
      1   0.304710D+01  0.856742D+01  0.626776D+01  0.467960D+01 -0.138663D+01
      2  -0.819617D+01 -0.414134D+01 -0.555753D+01 -0.103170D+01  0.145745D+01
      3   0.396691D+01  0.306482D+01 -0.391561D+00 -0.745353D+01  0.832036D+01
                21            22            23            24            25 
      1  -0.239550D+01  0.141091D+01  0.256704D+01 -0.674276D+01 -0.282311D+01
      2   0.269226D+00 -0.570510D+00  0.358447D+01 -0.103686D+01 -0.517360D+01
      3  -0.487348D+01  0.926241D+01  0.140214D+01 -0.189101D+01 -0.506872D+01
                26            27            28            29            30 
      1  -0.101549D+01 -0.123630D+02 -0.525703D+01  0.561352D+00  0.957184D+00
      2  -0.132130D+00  0.305567D+00 -0.999020D+01  0.131660D+01  0.239126D+01
      3  -0.158989D+01  0.330162D+01  0.656427D+00 -0.817825D+01  0.355822D+01
                31            32            33            34            35 
      1   0.883041D+00  0.353969D+01  0.175531D+01  0.386932D+00  0.717632D+01
      2   0.147348D+01  0.657815D+00  0.455229D+01 -0.383256D+01  0.569163D+01
      3  -0.214261D+01  0.671189D+01 -0.352112D-01  0.446105D+01 -0.140060D+01
                36            37            38            39            40 
      1   0.519949D+01 -0.419610D+00  0.324592D+00  0.794957D+00  0.888335D+00
      2   0.813715D+01  0.128473D+02 -0.963868D+00  0.156417D+01 -0.573653D+01
      3  -0.561206D+01  0.733998D+01 -0.480908D+01  0.240697D+01 -0.757400D+00
                41            42            43            44            45 
      1  -0.326460D+01 -0.128205D+01 -0.116088D+01  0.613006D+01  0.215556D+01
      2  -0.172261D+01 -0.287563D+01 -0.179397D+01 -0.390890D+01 -0.203100D+01
      3  -0.934921D+01  0.137164D+01  0.466627D+01  0.111191D+01  0.246086D+01
                46            47            48            49            50 
      1  -0.795300D+00 -0.362025D+01 -0.245397D+01 -0.325191D+01  0.798614D+01
      2  -0.776417D+01  0.446834D+01  0.797018D+00  0.544365D+01  0.155997D+01
      3  -0.314316D+01  0.423115D+01 -0.206401D+01  0.103440D+02 -0.276454D+01
                51            52            53            54            55 
      1  -0.815272D+01  0.328491D+00 -0.125108D+01 -0.804864D+01 -0.455342D+01
      2   0.185834D+01 -0.834590D+01  0.682199D+00 -0.258007D+01 -0.260846D+01
      3   0.132983D+01 -0.302398D+01  0.143884D+01  0.790419D+00  0.115186D+01
                56            57            58            59            60 
      1  -0.472610D+01  0.380484D+01 -0.127505D+01  0.341736D+00 -0.717515D+01
      2   0.405691D+01  0.905305D+01  0.393454D+01 -0.346952D+01 -0.354765D+01
      3  -0.858864D+01 -0.699121D+00  0.115152D+01  0.973182D+01  0.317283D+01
                61            62            63            64            65 
      1   0.111330D+01 -0.895831D+00 -0.554607D+00  0.301204D+01  0.107095D+01
      2   0.416436D+01 -0.102964D+01 -0.100977D+02 -0.224172D+01 -0.220240D+01
      3   0.886732D+00  0.807342D+01  0.897945D+00  0.496615D+01 -0.278511D+01
                66            67            68            69            70 
      1  -0.335382D+01  0.135272D+01  0.117904D+01 -0.266709D+01 -0.348638D+01
      2   0.491109D+01 -0.642423D+00 -0.100704D+01  0.195096D+01  0.211908D+01
      3  -0.149458D+01  0.188554D+01  0.546830D+00  0.219063D-02 -0.358816D+01
                71            72            73            74            75 
      1  -0.443769D+00  0.367330D+01 -0.138742D+01 -0.907251D+00 -0.194580D+01
      2   0.239515D+01 -0.470445D+01  0.122643D+01  0.838763D+00  0.296898D+01
      3   0.154898D+01  0.469589D+00 -0.114280D+01  0.774063D+00  0.677449D+00
                76            77            78            79            80 
      1  -0.652654D+00 -0.122554D+01 -0.379318D+01 -0.292002D+01 -0.363852D+01
      2   0.399609D+00  0.192968D+01  0.287276D+01  0.984202D+00  0.524157D+01
      3   0.276017D+01 -0.220605D+01 -0.176686D+01  0.258647D+01 -0.254127D+01
                81            82            83            84            85 
      1  -0.934221D+01  0.189097D+01  0.980696D+00  0.193385D+01  0.131448D+01
      2   0.919985D+01 -0.168156D-01 -0.570672D+00  0.739764D+00 -0.162001D+01
      3  -0.212233D+00 -0.651651D+00 -0.311173D+01 -0.150153D+01 -0.171475D+01
                86            87            88            89            90 
      1   0.325527D+01  0.296780D+01  0.255387D+01  0.435958D+01  0.153683D+02
      2  -0.712544D+00 -0.139498D-01 -0.374045D+01 -0.540948D+00  0.811470D+00
      3  -0.333267D+00 -0.277448D+00 -0.303666D+01 -0.880145D+00 -0.180477D+01
                91            92            93            94            95 
      1  -0.969545D+00  0.308236D+00  0.496364D+00 -0.328064D+00 -0.205185D+01
      2  -0.128451D-01  0.396194D+00  0.114404D+01  0.186544D+01 -0.161659D+01
      3   0.113182D+00  0.780567D+00  0.866856D+00  0.717673D+01  0.106833D+00
                96            97            98            99           100 
      1  -0.438164D+01  0.357720D+00 -0.846887D+00  0.156310D+01  0.307005D+01
      2  -0.329834D+00 -0.264410D+00 -0.622628D+00 -0.237217D+00  0.601196D+01
      3  -0.327799D+00  0.162021D+01 -0.494177D+00 -0.565947D+00 -0.773019D+01
               101           102           103           104           105 
      1  -0.113022D+01  0.233561D+01 -0.117165D+01  0.926682D+00 -0.202592D+01
      2  -0.193959D+01  0.525665D+01 -0.103585D+01  0.142323D+01 -0.190948D+01
      3  -0.415430D+01 -0.898757D+00  0.116206D+01 -0.222351D+00 -0.569576D+00
               106           107           108           109           110 
      1   0.198834D+01 -0.373041D+00  0.114564D+01  0.106885D+00  0.717017D+00
      2   0.223102D+01 -0.214867D+01  0.178187D+01 -0.779745D+00 -0.627865D+00
      3  -0.267628D+01 -0.191064D+01  0.188398D+00  0.124946D+01  0.956234D+00
               111           112           113           114           115 
      1  -0.834635D+00  0.325297D+00 -0.518588D+00 -0.295176D+01  0.744924D+00
      2   0.152502D-01 -0.782353D+00 -0.286186D+01 -0.320420D+01 -0.249084D+01
      3   0.650560D+00  0.285460D+01  0.188889D+01  0.241316D+01  0.201885D+01
               116           117           118           119           120 
      1   0.162490D+01 -0.787539D+01  0.878332D+01 -0.718538D-01 -0.261593D+01
      2  -0.403461D+01 -0.110693D+02 -0.280907D+01 -0.896719D+00  0.117338D+02
      3   0.422123D+01  0.313354D+01 -0.104911D+02  0.200458D+00 -0.684507D+01
               121           122           123           124           125 
      1  -0.277724D+01 -0.101751D+02 -0.688623D+01 -0.278493D+01 -0.166317D+01
      2  -0.809196D+00  0.857295D+00  0.377998D+01  0.682489D+01  0.471909D+01
      3   0.674295D+01  0.128824D+02  0.374450D+00 -0.598021D+01 -0.140459D+01
               126           127           128           129           130 
      1   0.358046D+01 -0.121041D+00 -0.204599D+01 -0.125276D+01 -0.129316D+01
      2  -0.216195D+01  0.576095D+00  0.274876D+00  0.329907D+01  0.144379D+01
      3  -0.183022D+01  0.952817D+00 -0.359765D+01 -0.126991D+01  0.580368D+00
               131           132           133           134           135 
      1  -0.663237D+00 -0.139949D+01  0.123279D+00  0.193435D+01  0.851050D+00
      2  -0.267130D+00  0.247165D+01 -0.179433D+01  0.176353D+01 -0.361090D+01
      3  -0.906922D+00  0.142854D+01 -0.282030D+01  0.265070D+01 -0.274531D+00
               136           137           138           139           140 
      1  -0.766066D+00  0.548570D+00  0.197372D+00  0.313312D+00 -0.953912D+01
      2  -0.755038D+00  0.850607D+00  0.133442D+01  0.212313D+01 -0.806069D+00
      3  -0.104891D+01 -0.971879D+00  0.782328D+00  0.532682D+01  0.201268D+01
               141           142           143           144           145 
      1  -0.288358D+01  0.488661D+00 -0.196126D+00 -0.325360D+00  0.124369D+01
      2  -0.304572D+00 -0.462401D+00 -0.230632D+00 -0.937188D-01  0.111218D+01
      3   0.287562D+00  0.825474D+00  0.812014D+00  0.213052D+00  0.832736D+00
               146           147           148           149           150 
      1   0.233542D+00  0.239048D+01 -0.464102D+00  0.136537D+01  0.364564D+01
      2  -0.517452D+00 -0.949184D+00 -0.182488D+01 -0.223612D-01 -0.382788D+00
      3  -0.172569D+01 -0.166869D+01 -0.742895D-01 -0.278337D+00 -0.962866D+00
               151           152           153           154           155 
      1   0.799779D+00  0.445799D+01  0.117867D+02 -0.410132D+01 -0.328971D+01
      2  -0.372170D+01  0.286753D+00  0.873638D-01  0.784694D+01  0.165693D+01
      3  -0.145586D+01 -0.498630D+00 -0.213915D+01 -0.218791D+01 -0.555994D+00
               156           157           158           159           160 
      1   0.409484D+01 -0.174483D+01 -0.241066D+01  0.142787D+01  0.347232D+01
      2  -0.568444D+01  0.211936D+01  0.221060D+01 -0.164012D+01 -0.795033D+01
      3   0.227311D+01  0.480840D+00 -0.648909D+00 -0.668183D+00  0.227308D+01
               161           162           163           164           165 
      1   0.428191D+01 -0.677570D+01 -0.527941D+01  0.265522D+01 -0.284949D+01
      2  -0.151397D+01  0.905634D+01 -0.305433D+01  0.991721D+00  0.380682D+01
      3  -0.527473D+00 -0.197123D+01  0.107181D+02 -0.632077D+01  0.381834D+01
               166           167           168           169           170 
      1   0.174475D+01 -0.102888D+01  0.817273D+00 -0.230280D+01  0.200944D+01
      2   0.787643D+00 -0.156363D+00 -0.182207D+01 -0.160681D+01 -0.642776D+00
      3  -0.315166D+01  0.203587D+01 -0.119713D+01  0.345018D+01 -0.125389D+01
               171           172           173           174           175 
      1  -0.259042D+01 -0.161819D+00  0.258137D+00  0.394332D+00  0.576932D+00
      2   0.217845D+01  0.687535D+00 -0.577552D+00 -0.573275D-01 -0.105441D+01
      3   0.289748D+01 -0.553095D+00 -0.151131D+00  0.697530D+00  0.291873D+01
               176           177           178           179           180 
      1   0.924324D+01 -0.443038D+01  0.582562D+00 -0.251966D-01  0.844584D+00
      2   0.126903D+01  0.245757D+01 -0.129107D+01  0.106165D+01  0.930706D-01
      3  -0.157953D+02 -0.106004D+01  0.325060D-02  0.410364D+00 -0.171725D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216625D+02  0.119462D+02 -0.117672D+01  0.201403D+02 -0.694569D+01
      2   0.798550D+01 -0.307657D+01 -0.377086D+01 -0.144756D+02  0.674858D+00
      3   0.136770D+02 -0.886964D+01  0.494758D+01 -0.566477D+01  0.627083D+01
      4   0.235634D+02 -0.121107D+02 -0.756282D+01 -0.151067D+02  0.831564D+00
      5   0.912210D+01 -0.496320D+01 -0.340480D+01 -0.888033D+01  0.489558D+01
      6  -0.422981D+01  0.725431D+01  0.227543D+01  0.635113D+00 -0.422253D+01
                 6             7             8             9            10 
      1  -0.845678D+01  0.131589D+02 -0.868802D+01 -0.256255D+01 -0.319693D+00
      2   0.444786D+01 -0.611857D+01  0.116423D+01 -0.290492D+01 -0.253586D+01
      3   0.400891D+01 -0.704037D+01  0.752379D+01  0.546747D+01  0.285556D+01
      4   0.340616D+01 -0.119279D+02  0.114016D+02  0.949423D+01 -0.104068D+02
      5   0.787412D+01  0.221691D+01  0.485353D+01  0.123890D+02  0.101359D+02
      6  -0.738576D+01  0.358251D+01 -0.215451D+01  0.561132D+00  0.883695D+01
                11            12            13            14            15 
      1  -0.782337D+01  0.883238D+01 -0.682193D+01 -0.309026D+01  0.542704D+01
      2   0.466999D+01 -0.454976D+01  0.412679D+01  0.123169D+02 -0.331607D+01
      3   0.315337D+01 -0.428262D+01  0.269515D+01 -0.922662D+01 -0.211097D+01
      4  -0.907540D+01  0.800787D+01 -0.166217D+01 -0.110068D+01 -0.243274D+01
      5   0.579497D+01 -0.100395D+02  0.399178D+01 -0.155609D+01 -0.839300D+01
      6  -0.146404D+01 -0.718394D+01  0.151994D+01 -0.241782D+01 -0.514274D+01
                16            17            18            19            20 
      1   0.834651D+01  0.889250D+01 -0.161235D+00 -0.464423D+01 -0.165120D+01
      2  -0.396488D+01 -0.494079D+01 -0.153324D+01  0.680630D+01  0.303677D+01
      3  -0.438162D+01 -0.395171D+01  0.169447D+01 -0.216208D+01 -0.138558D+01
      4   0.965235D+01 -0.626384D+01 -0.180654D+02 -0.469412D+01  0.179654D+00
      5  -0.118170D+02 -0.120455D+02 -0.700324D+01  0.177098D+01 -0.166878D+01
      6  -0.959064D+01 -0.135453D+02 -0.128366D+02 -0.679384D+01 -0.180838D-01
                21            22            23            24            25 
      1   0.211561D+01 -0.155149D+01  0.253134D+02  0.100736D+00  0.278847D+01
      2  -0.770316D-02  0.455591D+01 -0.466298D+02  0.498640D+01  0.565044D+00
      3  -0.210791D+01 -0.300442D+01  0.213164D+02 -0.508714D+01 -0.335351D+01
      4  -0.396543D+01  0.508712D+01  0.101900D+02 -0.127263D+01 -0.425866D+01
      5  -0.100815D+01 -0.169770D+00 -0.797447D+00 -0.695425D+00  0.927479D+00
      6   0.483277D+01 -0.184110D+01  0.794417D+01  0.702240D+01  0.383310D+01
                26            27            28            29            30 
      1   0.251704D+00  0.447500D+01 -0.221688D+02  0.134627D+02 -0.912154D+01
      2  -0.226000D+00  0.113283D+02  0.489665D+01 -0.737308D+01  0.599301D+01
      3  -0.257043D-01 -0.158033D+02  0.172721D+02 -0.608959D+01  0.312853D+01
      4   0.124012D+01  0.264073D+01  0.200037D+02 -0.663080D+01  0.546220D+01
      5  -0.436155D+00 -0.452521D+01 -0.911272D+01  0.571126D+00  0.356437D+01
      6   0.712676D+01  0.165461D+02  0.310252D+01  0.536069D+00 -0.254193D+01
                31            32            33            34            35 
      1   0.949259D+01 -0.273667D+01  0.546647D+01 -0.110623D+02  0.624291D+01
      2  -0.508249D+01  0.850877D+01  0.132461D+01  0.560963D+01  0.347552D+01
      3  -0.441010D+01 -0.577209D+01 -0.679109D+01  0.545270D+01 -0.971843D+01
      4  -0.790699D+01 -0.629766D+01  0.812804D+00  0.891869D+01  0.308261D+01
      5   0.137947D+00 -0.220232D+01  0.615082D+01  0.118218D+01  0.868633D+01
      6  -0.717908D+00 -0.239767D+01 -0.881719D+01  0.732671D+00 -0.911527D+01
                36            37            38            39            40 
      1   0.104645D+02  0.774965D+00 -0.793674D+01  0.133130D+02 -0.539302D+01
      2   0.183449D+00  0.174611D+01  0.485090D+01 -0.922104D+01  0.394452D+01
      3  -0.106480D+02 -0.252107D+01  0.308584D+01 -0.409191D+01  0.144850D+01
      4   0.968951D+01 -0.659257D+01 -0.524963D+01  0.600832D+01 -0.684245D+01
      5   0.120503D+02  0.171534D+02  0.547942D+01 -0.135297D+02  0.237043D+01
      6  -0.195704D+02  0.856005D+01  0.200860D+00 -0.557211D+01  0.291457D+01
                41            42            43            44            45 
      1  -0.498775D+01 -0.888037D+00  0.105263D+02  0.207309D+01 -0.989059D+01
      2   0.705971D+01 -0.719667D+00 -0.829245D+01 -0.550257D+01  0.306344D+01
      3  -0.207196D+01  0.160770D+01 -0.223388D+01  0.342949D+01  0.682715D+01
      4   0.524602D+01  0.171962D+01  0.413139D+01 -0.242169D+01 -0.150801D+02
      5   0.391231D+01 -0.960524D+01 -0.147043D+02 -0.123709D+02  0.433899D+01
      6   0.134245D+00 -0.624166D+01 -0.846424D+01 -0.532688D+01  0.214514D+01
                46            47            48            49            50 
      1   0.133732D+01 -0.510922D+01  0.273720D+01 -0.211880D+01  0.136022D+02
      2  -0.151459D+01  0.678244D+01  0.349764D+01  0.366074D+01 -0.246689D+02
      3   0.177267D+00 -0.167322D+01 -0.623483D+01 -0.154194D+01  0.110666D+02
      4  -0.562798D+01  0.114322D+01 -0.779636D+00  0.309953D+01  0.830383D+01
      5  -0.401989D+01 -0.890164D+00  0.328307D+01 -0.812785D+00 -0.257563D+01
      6  -0.537709D+01 -0.415599D+01  0.268430D+01 -0.251876D+01  0.927074D+01
                51            52            53            54            55 
      1   0.569420D+01 -0.338246D+01  0.441499D+01  0.151911D+02  0.590283D+02
      2   0.699245D+01  0.213446D+01  0.196580D+01  0.125048D+02 -0.271360D+02
      3  -0.126867D+02  0.124800D+01 -0.638079D+01 -0.276958D+02 -0.318923D+02
      4  -0.562115D+00 -0.324305D+00 -0.544366D+00 -0.409770D+00 -0.345882D+02
      5   0.662680D+00  0.352502D+01 -0.607316D+00 -0.649444D+01 -0.135851D+02
      6   0.474606D+01  0.536948D+00  0.500166D+01  0.261808D+01  0.536684D+01
                56            57            58            59            60 
      1  -0.161919D+02 -0.875542D+01 -0.187705D+02  0.793267D+01  0.252127D+01
      2   0.360471D+01  0.705760D+01  0.559751D+01  0.558542D+01 -0.561509D+00
      3   0.125872D+02  0.169781D+01  0.131730D+02 -0.135181D+02 -0.195976D+01
      4   0.266303D+02  0.710651D+01  0.297477D+02 -0.243372D+02 -0.796599D+01
      5   0.501981D+01  0.154605D+02  0.791863D+01 -0.655052D+01 -0.962162D+01
      6  -0.344245D+01 -0.587773D+01 -0.427310D+01  0.787593D+01  0.107533D+02
                61            62            63            64            65 
      1  -0.114312D+02  0.332233D+01  0.531309D+01  0.206116D+02  0.535612D+01
      2   0.904338D+01  0.419926D-01 -0.839840D+01 -0.863973D+01  0.712902D+00
      3   0.238783D+01 -0.336432D+01  0.308531D+01 -0.119719D+02 -0.606902D+01
      4   0.118676D+02 -0.958194D+01 -0.126642D+02  0.225496D+02  0.153819D+02
      5   0.200394D+02 -0.111067D+02 -0.184843D+02 -0.130957D+02 -0.541757D+01
      6  -0.814870D+01  0.120383D+02  0.732237D+01 -0.722208D+01 -0.396559D+01
                66            67            68            69            70 
      1  -0.669798D+01  0.127501D+01 -0.156266D+00  0.739075D+00 -0.822557D+01
      2   0.399432D+01  0.374237D+01  0.465944D+01 -0.263915D+01  0.506607D+01
      3   0.270367D+01 -0.501738D+01 -0.450317D+01  0.190007D+01  0.315950D+01
      4  -0.903105D+01  0.119160D+02  0.104920D+02 -0.502364D+01 -0.131019D+02
      5   0.107508D+02 -0.280795D+01 -0.434315D+01  0.358115D+01  0.125574D+02
      6   0.625559D+01 -0.363862D+01 -0.485709D+01  0.604063D+01  0.766475D+01
                71            72            73            74            75 
      1  -0.871969D+00  0.155146D+01  0.137429D+01  0.320123D+01  0.188510D+01
      2  -0.178780D+01 -0.358022D+01  0.145341D-01 -0.999459D+00 -0.188607D+01
      3   0.265977D+01  0.202876D+01 -0.138883D+01 -0.220177D+01  0.966283D-03
      4  -0.900378D+01  0.106049D+02  0.717418D+01  0.757464D+01  0.506223D+01
      5   0.730046D+01 -0.116045D+02  0.509515D+01  0.274731D+01  0.720155D+01
      6   0.769312D+01 -0.786050D+01  0.402861D+01  0.269644D+01  0.357382D+01
                76            77            78            79            80 
      1   0.152474D+01 -0.606072D+01 -0.430934D+01  0.310362D+01 -0.679642D+01
      2   0.617926D+00  0.792792D+01  0.458751D+01 -0.257286D+01  0.646394D+01
      3  -0.214266D+01 -0.186720D+01 -0.278174D+00 -0.530761D+00  0.332487D+00
      4   0.693576D+01  0.884131D+01  0.702706D+01  0.828892D+01  0.131310D+02
      5   0.197106D+01  0.569971D+01  0.558508D+01  0.961118D+01  0.967768D+01
      6   0.331984D+01  0.957862D+01  0.110048D+02  0.726246D+01  0.149605D+02
                81            82            83            84            85 
      1  -0.686934D+01  0.159941D+01  0.486734D+00 -0.214173D+00  0.119348D+00
      2  -0.172060D+01 -0.466414D+01 -0.112511D+01 -0.101177D+01 -0.145702D+01
      3   0.858994D+01  0.306473D+01  0.638378D+00  0.122594D+01  0.133767D+01
      4   0.135393D+02 -0.732737D+00  0.202645D+01 -0.181988D+01 -0.340492D+00
      5   0.177750D+02  0.226557D+01  0.446533D+00  0.724615D+01  0.705812D+00
      6   0.212061D+02 -0.153423D+01  0.122388D+01 -0.267641D+01  0.654459D+00
                86            87            88            89            90 
      1  -0.287695D+01 -0.469268D-02 -0.117785D+01  0.334954D+01 -0.159580D+02
      2   0.273273D+01 -0.476040D+01 -0.239232D+01 -0.458788D+01 -0.136988D+02
      3   0.144220D+00  0.476510D+01  0.357017D+01  0.123834D+01  0.296569D+02
      4  -0.523961D+00  0.103859D+01 -0.367163D+01  0.192449D+01 -0.175165D+01
      5   0.108012D+01  0.902066D+00  0.549133D+01  0.278002D-01  0.719132D+01
      6  -0.197263D+01  0.118328D+00 -0.286144D+01  0.615071D+01 -0.219034D+02
                91            92            93            94            95 
      1  -0.194889D+01  0.114902D+01 -0.362548D+00  0.232485D+01 -0.407792D+02
      2   0.640189D+01 -0.353579D+01  0.983222D-01 -0.479841D+01  0.726658D+02
      3  -0.445300D+01  0.238677D+01  0.264226D+00  0.247356D+01 -0.318866D+02
      4  -0.198233D+01  0.107583D+02 -0.544726D+00  0.956140D+01 -0.110145D+02
      5   0.658508D-01 -0.162069D+01  0.182826D+01 -0.141363D+01  0.214760D+01
      6  -0.190759D+00  0.499404D+00 -0.886135D+00  0.105498D+01 -0.131796D+02
                96            97            98            99           100 
      1   0.453811D+01 -0.205710D+00  0.424216D+00 -0.518752D+01  0.437991D+02
      2  -0.589351D+01 -0.380495D+00  0.889975D+00  0.487009D+01 -0.181929D+02
      3   0.135540D+01  0.586205D+00 -0.131419D+01  0.317431D+00 -0.256061D+02
      4   0.990280D+00  0.678949D+00 -0.781886D-01 -0.130160D+01 -0.302256D+02
      5  -0.878801D+00  0.109225D+01 -0.728431D+00  0.602409D+00  0.296221D+01
      6   0.906625D+01 -0.133785D+01  0.928207D+01 -0.279615D+01 -0.635220D+00
               101           102           103           104           105 
      1  -0.984962D+01  0.497832D+01 -0.612186D+01  0.472374D+01 -0.810158D+00
      2   0.356136D+00 -0.196015D+01 -0.157491D+01  0.187537D+01 -0.980672D+00
      3   0.949348D+01 -0.301817D+01  0.769677D+01 -0.659911D+01  0.179083D+01
      4   0.171571D+02 -0.320913D+01  0.155202D+02 -0.100025D+02  0.205525D+01
      5  -0.383131D+00  0.718595D+01 -0.463603D+00  0.151654D+01 -0.234931D+01
      6  -0.228061D+00 -0.293371D+01  0.153480D+00 -0.784215D+00  0.335733D+01
               106           107           108           109           110 
      1   0.896554D+01 -0.238450D+01  0.309516D+01  0.150201D+01 -0.374774D+01
      2  -0.382633D+01 -0.132119D+01 -0.235158D+01 -0.136565D+01  0.233471D+01
      3  -0.513920D+01  0.370569D+01 -0.743578D+00 -0.136359D+00  0.141302D+01
      4  -0.812933D+01  0.465746D+01 -0.512753D+01 -0.312590D+01  0.274641D+01
      5   0.797670D+01 -0.359926D+01  0.320886D+01 -0.150386D+01  0.157097D+01
      6  -0.325476D+01  0.352434D+01 -0.552922D+00  0.249371D+01  0.661339D+00
               111           112           113           114           115 
      1  -0.239165D+01 -0.203450D+01 -0.692765D+01 -0.620348D+01 -0.189003D+01
      2   0.111672D+01  0.101930D+01  0.541631D+01  0.332654D+01  0.222581D+01
      3   0.127493D+01  0.101520D+01  0.151133D+01  0.287694D+01 -0.335776D+00
      4   0.209871D+01  0.452452D+01 -0.433576D+01 -0.551980D+01  0.437383D+01
      5   0.404516D+01  0.225022D+01 -0.447130D+01 -0.520416D+01  0.724206D+01
      6   0.201625D+01 -0.146843D+01  0.102958D+02  0.135688D+02 -0.326415D+01
               116           117           118           119           120 
      1  -0.784750D+01 -0.150578D+02 -0.214019D+02  0.784561D+01 -0.218039D+02
      2   0.256981D+01 -0.817814D+01  0.219741D+02 -0.414758D+01  0.631853D+01
      3   0.527770D+01  0.232359D+02 -0.572111D+00 -0.369803D+01  0.154854D+02
      4  -0.822855D+01 -0.979817D+01  0.101724D+01  0.518601D+01 -0.488525D+01
      5  -0.810435D+01 -0.193067D+02 -0.198986D+02  0.404140D+01 -0.350564D+01
      6   0.143077D+02  0.251085D+02 -0.251099D+01  0.883361D-01  0.518441D+01
               121           122           123           124           125 
      1   0.128887D+02  0.131706D+02  0.802788D+00 -0.196886D+02 -0.223240D+01
      2  -0.978524D+01 -0.311710D+02 -0.575333D+01  0.703605D+01 -0.112923D+01
      3  -0.310345D+01  0.180004D+02  0.495054D+01  0.126525D+02  0.336163D+01
      4   0.387346D+01 -0.209621D+02  0.141693D+01 -0.454632D+01  0.408912D+01
      5   0.697733D+01  0.121576D+01  0.652482D+01 -0.155377D+01  0.805045D+01
      6   0.211799D+00 -0.739994D+01  0.698511D+01  0.652831D+01  0.670770D+01
               126           127           128           129           130 
      1   0.298739D+01  0.199035D+02  0.540389D+01 -0.976825D+01  0.437430D+01
      2   0.389306D+01 -0.140128D+02 -0.308646D+01  0.934858D+01 -0.123784D+01
      3  -0.688045D+01 -0.589063D+01 -0.231743D+01  0.419670D+00 -0.313646D+01
      4   0.127594D+02  0.139631D+02  0.100778D+02 -0.736326D+01  0.108516D+02
      5   0.464671D+01 -0.207236D+02 -0.612387D+01  0.180802D+02 -0.591977D+01
      6   0.417248D+01 -0.727868D+01 -0.410213D+01  0.692813D+01 -0.497220D+01
               131           132           133           134           135 
      1   0.180957D+01 -0.747625D+00 -0.834360D+01 -0.948153D+00  0.380390D+01
      2   0.390031D+00  0.321581D+00  0.987167D+01  0.225657D+01 -0.116688D+02
      3  -0.219960D+01  0.426044D+00 -0.152808D+01 -0.130842D+01  0.786491D+01
      4   0.774242D+01 -0.639072D+01 -0.818582D+01 -0.613652D+01  0.893860D+01
      5  -0.706383D+01  0.703434D+01  0.190428D+02  0.790678D+01 -0.211731D+02
      6  -0.583603D+01  0.804867D+01  0.702866D+01  0.705258D+01 -0.998501D+01
               136           137           138           139           140 
      1  -0.211771D+00  0.173178D+01 -0.873006D+00  0.101663D+01 -0.249496D+02
      2   0.395504D+01 -0.383612D+01  0.356971D+00 -0.244508D+01  0.403910D+02
      3  -0.374327D+01  0.210434D+01  0.516035D+00  0.142845D+01 -0.154414D+02
      4  -0.221938D+01  0.920307D+01 -0.122827D+01  0.726755D+01 -0.692172D+01
      5   0.792623D+00 -0.310212D+01  0.205825D+01 -0.256577D+01  0.283483D+01
      6  -0.167529D+01  0.218818D+01 -0.115948D+01  0.252359D+01 -0.178689D+02
               141           142           143           144           145 
      1   0.533199D+01 -0.371685D+00  0.345844D+00 -0.467821D+01 -0.156064D+00
      2  -0.441112D+01 -0.424800D+00  0.194558D+01  0.195929D+01 -0.438690D+01
      3  -0.920879D+00  0.796485D+00 -0.229143D+01  0.271892D+01  0.454296D+01
      4   0.163964D+01  0.152441D+00 -0.100364D+01 -0.659560D+00  0.933803D+00
      5  -0.127489D+01  0.928884D+00 -0.420067D+00  0.694830D+00  0.270270D+01
      6   0.965326D+01 -0.758833D+00  0.663126D+01 -0.269240D+01 -0.321785D+00
               146           147           148           149           150 
      1   0.848224D+00 -0.183075D+01  0.141217D+01 -0.381288D+01 -0.436103D+01
      2  -0.384332D+00 -0.256000D+01 -0.795200D+00  0.827030D-01 -0.565181D+01
      3  -0.463892D+00  0.439075D+01 -0.616966D+00  0.373018D+01  0.100128D+02
      4   0.129878D+01 -0.168274D+01 -0.356723D+00  0.545614D-01  0.703070D+00
      5   0.442742D+00  0.847552D+01  0.167255D+01  0.923872D+00  0.194946D+01
      6   0.123679D+01 -0.183512D+01  0.742142D+00  0.208620D+00  0.356877D+01
               151           152           153           154           155 
      1   0.202941D+00  0.633425D+00 -0.259119D+02 -0.347092D+01 -0.388868D+00
      2  -0.236063D+01 -0.297649D+01 -0.207845D+02 -0.330997D+01 -0.143942D+01
      3   0.215768D+01  0.234306D+01  0.466964D+02  0.678089D+01  0.182829D+01
      4  -0.243627D+01  0.854063D+00 -0.139522D+01 -0.601386D+01 -0.258476D+01
      5   0.652541D+01  0.179828D+00  0.841090D+01 -0.240396D+01 -0.153894D+01
      6  -0.102333D+01  0.602609D+01 -0.117041D+02  0.144745D+01 -0.340780D+01
               156           157           158           159           160 
      1   0.105604D+02 -0.268859D+01 -0.422888D+01  0.844529D+00  0.957570D+01
      2   0.203121D+01  0.115251D+01  0.372272D+01  0.300014D+01  0.591336D+00
      3  -0.125916D+02  0.153608D+01  0.506159D+00 -0.384467D+01 -0.101670D+02
      4   0.318634D+01 -0.128051D+01  0.268561D+00  0.880831D+00  0.521080D+01
      5   0.262209D+00 -0.195044D+01 -0.383012D+00 -0.206203D+01  0.433523D+01
      6  -0.580476D+01 -0.147430D+01  0.313487D+00  0.111267D+01 -0.208099D+01
               161           162           163           164           165 
      1   0.311564D+00 -0.143550D+02  0.458025D+02 -0.390310D+01  0.129066D+02
      2   0.251515D+01 -0.863632D+01 -0.301031D+02  0.476301D+01 -0.122075D+02
      3  -0.282671D+01  0.229913D+02 -0.156993D+02 -0.859913D+00 -0.699082D+00
      4   0.254792D+01 -0.440735D+01  0.113798D+02  0.818009D+01  0.477985D+01
      5   0.122799D+00  0.394401D+01  0.274164D+02 -0.858727D+00  0.179454D+02
      6   0.388656D+01  0.775744D+01  0.276936D+01  0.412168D+01  0.315061D+01
               166           167           168           169           170 
      1  -0.103541D+02  0.350624D+01 -0.268867D+01  0.100711D+02 -0.143346D+00
      2   0.800673D+01 -0.221243D+00  0.387816D+01 -0.981135D+01  0.126931D+01
      3   0.234733D+01 -0.328500D+01 -0.118949D+01 -0.259726D+00 -0.112596D+01
      4   0.421896D+01 -0.288881D+00  0.141153D+01  0.373994D+01  0.160223D+01
      5  -0.621601D+01  0.294923D+01 -0.508354D+01  0.152641D+02 -0.149494D+01
      6   0.215840D+01 -0.504348D+00  0.588459D+00  0.196686D+01  0.181559D+01
               171           172           173           174           175 
      1   0.577083D+01  0.223032D+01  0.325135D+01  0.248434D+01  0.224554D+01
      2  -0.953927D+01  0.109250D+01 -0.114820D+01 -0.104650D+01  0.330851D+01
      3   0.376844D+01 -0.332282D+01 -0.210315D+01 -0.143784D+01 -0.555405D+01
      4   0.108018D+01  0.418544D+01  0.728920D+01  0.769232D+00  0.123762D+02
      5   0.113561D+02  0.247319D+01  0.861994D+00  0.163715D+01  0.320430D+01
      6   0.202367D+01  0.116428D+01  0.768503D-01 -0.430000D+00  0.262880D+01
               176           177           178           179           180 
      1  -0.219604D+02 -0.326913D+01  0.631416D+00 -0.622515D+00 -0.371149D+01
      2   0.475902D+02  0.236740D+01 -0.407239D+00 -0.235864D+01  0.350129D+01
      3  -0.256298D+02  0.901730D+00 -0.224177D+00  0.298115D+01  0.210200D+00
      4   0.323755D+02  0.367856D+01 -0.432817D+00 -0.126804D+01  0.191378D+01
      5   0.276774D+01  0.490348D+01  0.160078D+01  0.266879D+01 -0.404266D+00
      6   0.162283D+02  0.948931D+01  0.209465D+00  0.711876D+01  0.849676D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.860674D+02      0.127539D+02      0.141906D+02
   aniso      0.138394D+02      0.205078D+01      0.228180D+01
   xx         0.914839D+02      0.135565D+02      0.150837D+02
   yx        -0.143919D+01     -0.213266D+00     -0.237291D+00
   yy         0.891817D+02      0.132154D+02      0.147041D+02
   zx        -0.238729D+01     -0.353760D+00     -0.393611D+00
   zy         0.409072D+00      0.606183D-01      0.674469D-01
   zz         0.775367D+02      0.114898D+02      0.127841D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.860674D+02      0.127539D+02      0.141906D+02
   aniso      0.138394D+02      0.205078D+01      0.228180D+01
   xx         0.803797D+02      0.119110D+02      0.132528D+02
   yx         0.446020D+01      0.660933D+00      0.735387D+00
   yy         0.861631D+02      0.127680D+02      0.142064D+02
   zx        -0.327178D+01     -0.484828D+00     -0.539444D+00
   zy         0.119545D+01      0.177147D+00      0.197102D+00
   zz         0.916595D+02      0.135825D+02      0.151126D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 IT IS THE BEHAVIOR AND DISTRIBUTION OF THE ELECTRONS 
 AROUND THE NUCLEUS THAT GIVES THE FUNDAMENTAL 
 CHARACTER OF AN ATOM:  IT MUST BE THE SAME FOR MOLECULES.

                               -- C. A. COULSON, 1951
 Job cpu time:       0 days  6 hours 46 minutes 26.8 seconds.
 Elapsed time:       0 days  0 hours 51 minutes 10.8 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 20:05:17 2021.
